diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index a543d99..24eb2a0 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -37,8 +37,25 @@ jobs:
- name: Run unit tests
run: pytest -v .
+ build_docs:
+ needs: build
+ runs-on: ubuntu-latest
+ strategy:
+ matrix:
+ python-version: ["3.8", "3.9", "3.10", "3.11", "3.12"]
+
+ steps:
+ - uses: actions/checkout@v4
+
+ - name: Set up Python ${{ matrix.python-version }}
+ uses: actions/setup-python@v4
+ with:
+ python-version: ${{ matrix.python-version }}
+
- name: Install doc dependencies
- run: pip install .[doc]
+ run: |
+ python -m pip install --upgrade pip setuptools wheel
+ pip install .[doc]
- name: Build documentation
- run: sphinx-build ./doc ./build
\ No newline at end of file
+ run: sphinx-build ./doc ./build
diff --git a/.gitignore b/.gitignore
index b382093..e6cfb60 100644
--- a/.gitignore
+++ b/.gitignore
@@ -9,10 +9,13 @@
__pycache__/
*.so
+# Temporary files
+/conversion_examples/*/*new*
+
# Distribution / packaging
/build/
/dist/
*.egg-info/
.eggs/
/doc/_generated
-/doc/_static/example_nxxas_data.h5
+/doc/_static/*.h5
diff --git a/CONTRIBUTING.md b/CONTRIBUTING.md
index ac1f175..e9ce193 100644
--- a/CONTRIBUTING.md
+++ b/CONTRIBUTING.md
@@ -1 +1,44 @@
-CONTRIBUTING.md
\ No newline at end of file
+## Getting started
+
+Requirements are listed in `setup.cfg` and can be installed with
+
+```bash
+pip install [--user] .[dev]
+```
+
+## Make a contribution
+
+Before making a merge request make sure the following is done on your branch
+
+1. Update HDF5 repository examples
+2. Linting
+3. Testing
+
+### Update HDF5 repository examples
+
+To be sure all HDF5 files are compliant with the latest standard
+
+```bash
+pip install -e .[dev]
+./converted/generate.sh
+```
+
+### Linting
+
+The configuration for [black](https://black.readthedocs.io/en/stable/) and [flake8](https://flake8.pycqa.org/en/latest/index.html) can be modified in `setup.cfg`.
+
+Comment lines with `# noqa: E123` to ignore certain linting errors.
+
+### Testing
+
+Tests make use [pytest](https://docs.pytest.org/en/stable/index.html) and can be run as follows
+
+```bash
+pytest .
+```
+
+Testing an installed project is done like this
+
+```bash
+pytest --pyargs
+```
diff --git a/README.md b/README.md
index 81bb58d..0a951f4 100644
--- a/README.md
+++ b/README.md
@@ -1,7 +1,7 @@
# pynxxas
Library for reading and writing XAS data in NeXus format.
-An example HDF5 file can be found [here](https://myhdf5.hdfgroup.org/view?url=https%3A%2F%2Fpynxxas.readthedocs.io%2Fen%2Flatest%2F_static%2Fexample_nxxas_data.h5)
+An example HDF5 file can be found [here](https://myhdf5.hdfgroup.org/view?url=https%3A%2F%2Fpynxxas.readthedocs.io%2Fen%2Flatest%2F_static%2Fgeneric.h5)
@@ -12,6 +12,6 @@ An example HDF5 file can be found [here](https://myhdf5.hdfgroup.org/view?url=ht
-
+
diff --git a/conversion_examples/BlissMultiModal/make_xas.py b/conversion_examples/BlissMultiModal/make_xas.py
new file mode 100644
index 0000000..4b0070f
--- /dev/null
+++ b/conversion_examples/BlissMultiModal/make_xas.py
@@ -0,0 +1,114 @@
+from pathlib import Path
+
+import h5py
+import numpy
+
+THIS_DIRECTORY = Path(__file__).parent
+
+
+def bliss2nexus(nxentry_in, expressions, metadata, nxroot_out, entry_name):
+ root = create_nxclass(nxroot_out, entry_name, "NXentry")
+ nxroot_out.attrs["default"] = entry_name
+
+ inst = create_nxclass(root, "instrument", "NXinstrument")
+
+ source = create_nxclass(inst, "source", "NXsource")
+ source["type"] = "Synchrotron X-ray Source"
+ source["probe"] = "x-ray"
+
+ monochromator = create_nxclass(inst, "monochromator", "NXmonochromator")
+ nxinstrument_input = nxentry_in["instrument"]
+ dset = nxinstrument_input[metadata["energy"]]["data"]
+ monochromator["energy"] = dset[()]
+ energy_units = dset.attrs.get("units", "keV")
+ monochromator.attrs["units"] = energy_units
+
+ for name, expression in expressions.items():
+ subroot = create_nxclass(root, name, "NXsubentry", default="plot")
+ root.attrs["default"] = name
+ subroot["definition"] = "NXxas"
+
+ mode = expression["mode"]
+ subroot["mode"] = mode
+
+ subroot["energy"] = h5py.SoftLink(monochromator["energy"].name)
+
+ if mode == "transmission":
+ I0 = nxinstrument_input[expression["I0"]]["data"][()]
+ It = nxinstrument_input[expression["It"]]["data"][()]
+ subroot["intensity"] = numpy.log(I0 / It)
+ elif mode == "fluorescence":
+ I0 = nxinstrument_input[expression["I0"]]["data"][()]
+ mca = nxinstrument_input[expression["mca"]]
+ Ifluo = mca[expression["Ifluo"]][()]
+ Lt = mca[expression["Lt"]][()]
+ subroot["intensity"] = numpy.log(Ifluo / (I0 * Lt))
+ else:
+ raise NotImplementedError(mode)
+
+ element = create_nxclass(subroot, "element", "NXelement")
+ element["symbol"] = metadata["element"]
+
+ edge = create_nxclass(subroot, "edge", "NXedge")
+ edge["name"] = metadata["edge"]
+
+ plot = create_nxclass(
+ subroot, "plot", "NXdata", signal="intensity", axes="energy"
+ )
+ plot["title"] = expression.get("title", name)
+ plot["energy"] = h5py.SoftLink(subroot["energy"].name)
+ plot["intensity"] = h5py.SoftLink(subroot["intensity"].name)
+ plot["energy"].attrs["long_name"] = f"Energy ({energy_units})"
+ plot["intensity"].attrs["long_name"] = "Normalized mu(E)"
+
+
+def create_nxclass(root, name, nx_class, **attrs):
+ """Create NeXus class instance with attributes."""
+ child = root.create_group(name, track_order=True)
+ child.attrs["NX_class"] = nx_class
+ for name, value in attrs.items():
+ child.attrs[name] = value
+ return child
+
+
+def main(output_filename):
+ with h5py.File(output_filename, "w", track_order=True) as nxroot_out:
+
+ input_filename = THIS_DIRECTORY / "test_Assolution_Mauro_0001.h5"
+
+ expressions = {
+ "itrans": {
+ "mode": "transmission",
+ "I0": "p201_1_bkg_sub",
+ "It": "p201_3_bkg_sub",
+ "title": "Transmission",
+ },
+ "iref": {
+ "mode": "transmission",
+ "I0": "p201_3_bkg_sub",
+ "It": "p201_5_bkg_sub",
+ "title": "Standard",
+ },
+ }
+ for mca_nr in range(16):
+ expressions[f"fluo{mca_nr}"] = {
+ "mode": "fluorescence",
+ "I0": "p201_1_bkg_sub",
+ "mca": f"xmapd16_det{mca_nr}",
+ "Ifluo": "roi1",
+ "Lt": "live_time", # effective measurement time
+ "title": f"Fluorescence #{mca_nr}",
+ }
+ metadata = {"element": "As", "edge": "K", "energy": "energy_enc"}
+
+ with h5py.File(input_filename, "r") as nxroot_in:
+ for entry_name in nxroot_in:
+ if entry_name.endswith(".1"):
+ nxentry_in = nxroot_in[entry_name]
+ bliss2nexus(
+ nxentry_in, expressions, metadata, nxroot_out, entry_name
+ )
+
+
+if __name__ == "__main__":
+ main(THIS_DIRECTORY / ".." / ".." / "nxxas_examples" / f"{THIS_DIRECTORY.name}.h5")
diff --git a/conversion_examples/BlissMultiModal/test_Assolution_Mauro_0001.h5 b/conversion_examples/BlissMultiModal/test_Assolution_Mauro_0001.h5
new file mode 100644
index 0000000..ddbe632
Binary files /dev/null and b/conversion_examples/BlissMultiModal/test_Assolution_Mauro_0001.h5 differ
diff --git a/conversion_examples/Fe_XDIFiles/fe2o3_rt_new.xdi b/conversion_examples/Fe_XDIFiles/fe2o3_rt_new.xdi
deleted file mode 100644
index 68992dc..0000000
--- a/conversion_examples/Fe_XDIFiles/fe2o3_rt_new.xdi
+++ /dev/null
@@ -1,386 +0,0 @@
-# XDI/1.1
-# Column.1: energy eV
-# Column.2: norm
-# Column.3: itrans
-# Column.4: i0
-# Element.edge: K
-# Element.symbol: Fe
-# Scan.edge_energy: 7112.
-# Mono.name: Si 111
-# Mono.d_spacing: 3.13550
-# Beamline.name: 13-BM-D
-# Beamline.collimation: none
-# Beamline.focusing: no
-# Beamline.harmonic_rejection: detuned 50%
-# Facility.name: APS
-# Facility.energy: 7.00 GeV
-# Facility.xray_source: APS bending magnet
-# Scan.start_time: 2002-03-16T14:48:54
-# Detector.I0: 15cm N2
-# Detector.I1: 15cm N2
-# Sample.name: Fe2O3
-# Sample.prep: powder on tape, 5 layers
-# Process.program: xraylarch
-# Process.version: 0.9.80
-# Process.command: pre_edge(data, e0=None, step=None, nnorm=None, nvict=0, pre1=-150, pre2=-50, norm1=150, norm2=750, make_flat=True)
-# Process.step1: energy = data[:,0] # column 1: energy (eV)
-# Process.step2: itrans = data[:, 2] # column 3: transmitted beam intensity
-# Process.step3: i0 = data[:, 3] # column 4: incident beam intensity
-# Process.step4: mu = -log(itrans/i0) # absorbance
-# Process.step5: edge_step = 0.274590899
-# Process.step6: pre_edge = 8.491519587 + -0.001154743*energy
-# Process.step7: intensity = norm = (mu - pre_edge) /edge_step
-# ///
-# room temperature
-# measured at beamline 13-BM-D
-# vert slits = 2mm (at 45m)
-#---------------------------------
-# energy norm itrans i0
- 6962.00000000 0.00179686946 193357.390000 304063.000000
- 6972.00000000 0.00242255132 196869.390000 306084.000000
- 6982.00000000 -0.00087527631 199263.390000 305972.000000
- 6992.00000000 -0.00130061253 201589.390000 305954.000000
- 7002.00000000 -0.00055045458 203873.400000 305931.000000
- 7012.00000000 0.00110410334 206193.400000 305999.000000
- 7022.00000000 -0.00234187196 208788.390000 306003.000000
- 7032.00000000 0.00074838539 210900.390000 305809.000000
- 7042.00000000 0.00002638967 213352.390000 305752.000000
- 7052.00000000 -0.00084470058 215686.400000 305475.000000
- 7062.00000000 0.00161148624 218176.400000 305660.000000
- 7072.00000000 0.00702061142 220324.400000 305579.000000
- 7082.00000000 0.01033884429 222849.390000 305811.000000
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- 7094.00000000 0.01320089055 225228.390000 305062.000000
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- 7918.54800000 1.52005762965 385271.390000 304593.000000
- 7924.10500000 1.52805980650 387144.390000 304785.000000
- 7929.68100000 1.53468637369 388902.390000 304758.000000
- 7935.27600000 1.54353526549 390419.390000 304716.000000
- 7940.89000000 1.55196575344 391625.400000 304386.000000
- 7946.52300000 1.56225333174 393943.390000 305063.000000
- 7952.17500000 1.56858670073 395321.400000 304668.000000
- 7957.84700000 1.57862876822 396823.400000 304668.000000
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- 7969.24700000 1.59474589476 400474.390000 304796.000000
diff --git a/conversion_examples/Fe_XDIFiles/fe_metal_rt_new.xdi b/conversion_examples/Fe_XDIFiles/fe_metal_rt_new.xdi
deleted file mode 100644
index 7eba633..0000000
--- a/conversion_examples/Fe_XDIFiles/fe_metal_rt_new.xdi
+++ /dev/null
@@ -1,386 +0,0 @@
-# XDI/1.1
-# Column.1: energy eV
-# Column.2: norm
-# Column.3: itrans
-# Column.4: i0
-# Element.edge: K
-# Element.symbol: Fe
-# Scan.edge_energy: 7112.
-# Mono.name: Si 111
-# Mono.d_spacing: 3.13550
-# Beamline.name: 13-BM-D
-# Beamline.collimation: none
-# Beamline.focusing: no
-# Beamline.harmonic_rejection: detuned 50%
-# Facility.name: APS
-# Facility.energy: 7.00 GeV
-# Facility.xray_source: APS bending magnet
-# Scan.start_time: 2002-03-16T19:49:43
-# Detector.I0: 15cm N2
-# Detector.I1: 15cm N2
-# Sample.name: Fe metal foil
-# Sample.prep: standard foil (Joe Wong boxed set)
-# Process.program: xraylarch
-# Process.version: 0.9.80
-# Process.command: pre_edge(data, e0=None, step=None, nnorm=None, nvict=0, pre1=-150, pre2=-50, norm1=150, norm2=750, make_flat=True)
-# Process.step1: energy = data[:,0] # column 1: energy (eV)
-# Process.step2: itrans = data[:, 2] # column 3: transmitted beam intensity
-# Process.step3: i0 = data[:, 3] # column 4: incident beam intensity
-# Process.step4: mu = -log(itrans/i0) # absorbance
-# Process.step5: edge_step = 3.130141510
-# Process.step6: pre_edge = 7.008599041 + -9.915004e-4*energy
-# Process.step7: intensity = norm = (mu - pre_edge) /edge_step
-# ///
-# room temperature
-# measured at beamline 13-BM-D
-# vert slits = 2mm (at 45m)
-#---------------------------------
-# energy norm itrans i0
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- 6972.00000000 0.00011967165 277657.400000 305705.000000
- 6982.00000000 0.00002524824 280613.400000 305821.000000
- 6992.00000000 -0.00012361809 284053.400000 306373.000000
- 7002.00000000 -0.00011215364 286448.390000 305919.000000
- 7012.00000000 -0.00019804422 289276.390000 305809.000000
- 7022.00000000 -0.00011138956 292190.400000 305925.000000
- 7032.00000000 -0.00023180094 294902.390000 305603.000000
- 7042.00000000 0.00016092901 298155.400000 306302.000000
- 7052.00000000 0.00029367041 300423.400000 305714.000000
- 7062.00000000 0.00058310037 303231.400000 305804.000000
- 7072.00000000 0.00111083228 305860.400000 305917.000000
- 7082.00000000 0.00198731812 307723.400000 305581.000000
- 7092.00000000 0.00384012648 309261.390000 305847.000000
- 7092.50000000 0.00406947975 308425.390000 305088.000000
- 7093.00000000 0.00425441651 308645.390000 305331.000000
- 7093.50000000 0.00440290252 308417.390000 305096.000000
- 7094.00000000 0.00444027694 308638.390000 305199.000000
- 7094.50000000 0.00455892372 308642.390000 305165.000000
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- 7096.00000000 0.00519437124 308379.400000 305058.000000
- 7096.50000000 0.00519460612 308648.390000 305173.000000
- 7097.00000000 0.00550500078 308578.400000 305249.000000
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- 7098.50000000 0.00644734752 308014.390000 305137.000000
- 7099.00000000 0.00674489209 307896.400000 305153.000000
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- 7946.52300000 0.73524837597 72978.4000000 305275.000000
- 7952.17500000 0.73466161670 73412.3900000 304814.000000
- 7957.84700000 0.73444328486 73892.4000000 304878.000000
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diff --git a/conversion_examples/Fe_XDIFiles/fe_xas_nexus.h5 b/conversion_examples/Fe_XDIFiles/fe_xas_nexus.h5
deleted file mode 100644
index faccc53..0000000
Binary files a/conversion_examples/Fe_XDIFiles/fe_xas_nexus.h5 and /dev/null differ
diff --git a/conversion_examples/Fe_XDIFiles/feo_rt1_new.xdi b/conversion_examples/Fe_XDIFiles/feo_rt1_new.xdi
deleted file mode 100644
index cfeb38c..0000000
--- a/conversion_examples/Fe_XDIFiles/feo_rt1_new.xdi
+++ /dev/null
@@ -1,443 +0,0 @@
-# XDI/1.1
-# Column.1: energy eV
-# Column.2: norm
-# Column.3: itrans
-# Column.4: i0
-# Element.edge: K
-# Element.symbol: Fe
-# Scan.start_time: 2001-08-10T11:10:00
-# Mono.name: Si 111
-# Mono.d_spacing: 3.13553
-# Beamline.name: 20BM
-# Beamline.focusing: no
-# Beamline.harmonic_rejection: detuned
-# Detector.I0: N2 15cm
-# Detector.I1: N2 15cm
-# Sample.name: FeO
-# Sample.notes: room temperature, powder on tape, 4 layers
-# Process.program: xraylarch
-# Process.version: 0.9.80
-# Process.command: pre_edge(data, e0=None, step=None, nnorm=None, nvict=0, pre1=-150, pre2=-50, norm1=150, norm2=750, make_flat=True)
-# Process.step1: energy = data[:,0] # column 1: energy (eV)
-# Process.step2: itrans = data[:, 2] # column 3: transmitted beam intensity
-# Process.step3: i0 = data[:, 3] # column 4: incident beam intensity
-# Process.step4: mu = -log(itrans/i0) # absorbance
-# Process.step5: edge_step = 1.388601103
-# Process.step6: pre_edge = 3.826315582 + -5.592593e-4*energy
-# Process.step7: intensity = norm = (mu - pre_edge) /edge_step
-# ///
-# data from NXS school, 2001
-#---------------------------------
-# energy norm itrans i0
- 6911.76710000 0.00227680398 290366.180000 280101.000000
- 6916.87300000 0.00210863319 289977.180000 278863.000000
- 6921.70300000 0.00181292063 290136.180000 278149.000000
- 6926.83440000 0.00173924213 290103.180000 277292.000000
- 6931.73990000 0.00213059520 278595.180000 265707.000000
- 6936.98870000 0.00103345002 301917.180000 286669.000000
- 6941.78690000 0.00115070599 301961.180000 285989.000000
- 6946.87790000 0.00090418083 301519.180000 284661.000000
- 6951.91540000 0.00086629343 302120.180000 284411.000000
- 6956.94010000 0.00066311845 302167.180000 283577.000000
- 6961.96210000 0.00070061878 303265.180000 283824.000000
- 6966.86840000 0.00040198492 303950.180000 283568.000000
- 6971.91560000 0.00037210689 304638.180000 283397.000000
- 6976.85720000 0.00015116695 305481.180000 283310.000000
- 6981.99180000 0.00021386357 306229.180000 283214.000000
- 6986.87590000 0.00012638066 306938.180000 283061.000000
- 6991.93280000 0.00009927507 307721.180000 282971.000000
- 6996.91440000 0.00001790248 308670.180000 283022.000000
- 7001.85150000 -0.00012495145 309435.180000 282885.000000
- 7006.99340000 -0.00021121727 310281.180000 282810.000000
- 7011.84120000 -0.00017750634 311023.180000 282732.000000
- 7016.94630000 -0.00030863655 311819.180000 282596.000000
- 7021.87120000 -0.00032222366 312561.180000 282484.000000
- 7026.87650000 -0.00021137803 313268.180000 282375.000000
- 7031.97300000 -0.00024512076 314010.180000 282225.000000
- 7036.83610000 -0.00023842791 314744.180000 282119.000000
- 7041.89520000 -0.00007872148 315530.180000 282087.000000
- 7046.85670000 -0.00010082660 316357.180000 282034.000000
- 7051.82540000 0.00001596827 317160.180000 282011.000000
- 7056.89650000 0.00005494968 317924.180000 281905.000000
- 7061.83780000 0.00036725519 318600.180000 281847.000000
- 7066.75460000 0.00060014131 319289.180000 281772.000000
- 7071.80570000 0.00090265759 319901.180000 281634.000000
- 7076.74760000 0.00132716635 320463.180000 281516.000000
- 7081.68600000 0.00185888559 320876.180000 281309.000000
- 7086.79130000 0.00278535489 321085.180000 281051.000000
- 7091.53120000 0.00378798477 320763.180000 280416.000000
- 7096.55520000 0.00567354320 317955.180000 277908.000000
- 7101.56530000 0.00669589210 275002.180000 240033.000000
- 7101.93950000 0.00525579877 284665.180000 247919.000000
- 7102.28170000 0.00519552122 295257.180000 257073.000000
- 7102.69870000 0.00665102280 309588.180000 270033.000000
- 7103.19060000 0.00906659746 319436.180000 279482.000000
- 7103.63990000 0.01015913237 322348.180000 282387.000000
- 7104.00360000 0.01067417776 322984.180000 283089.000000
- 7104.28180000 0.01106332186 323081.180000 283283.000000
- 7104.62410000 0.01149003508 323013.180000 283337.000000
- 7105.09500000 0.01238640854 322744.180000 283379.000000
- 7105.52310000 0.01281056123 322572.180000 283327.000000
- 7105.87630000 0.01342966658 322305.180000 283280.000000
- 7106.24020000 0.01419380571 321923.180000 283187.000000
- 7106.57210000 0.01462201951 321655.180000 283067.000000
- 7107.06460000 0.01574915759 321220.180000 283049.000000
- 7107.52510000 0.01677262566 320690.180000 282911.000000
- 7107.94270000 0.01777204635 320311.180000 282903.000000
- 7108.31760000 0.01885473762 319777.180000 282797.000000
- 7108.59610000 0.01990319833 319226.180000 282677.000000
- 7108.97110000 0.02176518895 318402.180000 282618.000000
- 7109.50680000 0.02472239903 317071.180000 282510.000000
- 7109.93540000 0.02878895098 315273.180000 282431.000000
- 7110.27840000 0.03395334694 312986.180000 282346.000000
- 7110.62140000 0.04072000866 310103.180000 282332.000000
- 7111.00730000 0.04989964573 306109.180000 282210.000000
- 7111.46830000 0.05924507725 302147.180000 282123.000000
- 7111.91860000 0.06540141504 299642.180000 282115.000000
- 7112.35830000 0.07054344055 297501.180000 282037.000000
- 7112.66930000 0.07482460065 295744.180000 281994.000000
- 7112.93740000 0.07942605055 293845.180000 281937.000000
- 7113.37720000 0.08446147088 291801.180000 281871.000000
- 7113.82780000 0.08784503669 290459.180000 281825.000000
- 7114.24620000 0.09273448267 288513.180000 281778.000000
- 7114.57890000 0.09997790595 285696.180000 281795.000000
- 7114.90080000 0.10824502156 282531.180000 281840.000000
- 7115.31940000 0.12237438354 276967.180000 281698.000000
- 7115.81320000 0.14338532626 269041.180000 281660.000000
- 7116.24260000 0.16470279739 261185.200000 281583.000000
- 7116.67210000 0.19000765621 252213.200000 281567.000000
- 7116.97280000 0.21474544389 243746.200000 281577.000000
- 7117.26270000 0.24836614977 232641.200000 281547.000000
- 7117.77830000 0.30152525640 216149.200000 281547.000000
- 7118.24020000 0.35216581956 201490.200000 281500.000000
- 7118.62700000 0.40294800701 187785.200000 281460.000000
- 7118.97080000 0.44719954420 176633.200000 281469.000000
- 7119.29310000 0.48577334999 167426.200000 281427.000000
- 7119.76600000 0.54113159762 155078.200000 281425.000000
- 7120.20670000 0.58638841431 145635.200000 281361.000000
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- 7999.48360000 0.81160535149 262404.650000 423864.660000
- 8005.24920000 0.81134062116 263464.060000 424049.970000
- 8011.17430000 0.81113245990 264565.460000 424291.340000
- 8017.03980000 0.81100232546 265599.970000 424478.720000
- 8023.01060000 0.81069853425 266632.470000 424529.160000
- 8028.79750000 0.81036760221 267544.990000 424410.590000
- 8034.67580000 0.81012693100 268623.590000 424581.090000
- 8040.41100000 0.80997303778 269451.180000 424434.620000
- 8046.40390000 0.80981439237 270585.840000 424702.220000
- 8052.36440000 0.80958959406 271604.520000 424749.810000
- 8058.37570000 0.80939874384 272675.250000 424880.470000
- 8064.28490000 0.80921140049 273806.000000 425124.160000
- 8070.20310000 0.80915859781 273602.780000 423373.880000
- 8076.08850000 0.80888866027 275816.590000 425237.620000
- 8082.06650000 0.80881870631 276831.430000 425336.410000
- 8084.09380000 0.80888345946 277185.590000 425436.220000
diff --git a/conversion_examples/Fe_XDIFiles/make_xas.py b/conversion_examples/Fe_XDIFiles/make_xas.py
index 431ed49..1de9d49 100644
--- a/conversion_examples/Fe_XDIFiles/make_xas.py
+++ b/conversion_examples/Fe_XDIFiles/make_xas.py
@@ -1,18 +1,18 @@
-from nexusformat import nexus
+import json
from pathlib import Path
+
import h5py
-import json
-import numpy as np
+import numpy
from larch.xafs import pre_edge
from larch.io import read_xdi, read_ascii, write_ascii
from larch.utils import gformat
+THIS_DIRECTORY = Path(__file__).parent
-def xdi2nexus(filename, nxroot, entry_name="entry", data_mode="transmission"):
+def xdi2nexus(filename, nxroot, entry_name="entry"):
asc = read_ascii(filename)
- dat = read_xdi(filename)
- filename = Path(filename).name
+ dat = read_xdi(str(filename))
dat.energy
dat.mu = dat.mutrans * 1.0
@@ -24,28 +24,31 @@ def xdi2nexus(filename, nxroot, entry_name="entry", data_mode="transmission"):
pre_slope = dat.pre_edge_details.pre_slope
nvict = dat.pre_edge_details.nvict
- rawdata = np.zeros((len(dat.energy), 4), dtype="float64")
+ rawdata = numpy.zeros((len(dat.energy), 4), dtype="float64")
rawdata[:, 0] = dat.energy
rawdata[:, 1] = dat.norm
rawdata[:, 2] = (dat.itrans * 10.0).astype("int32") / 10.0
rawdata[:, 3] = dat.i0 * 1.0
- root = nxroot[entry_name] = nexus.NXentry()
-
+ root = create_nxclass(nxroot, entry_name, "NXentry", default="plot")
+ nxroot.attrs["default"] = entry_name
root["definition"] = "NXxas"
+
root["mode"] = "transmission"
- root["element"] = dat.attrs["element"]["symbol"]
- root["absorption_edge"] = dat.attrs["element"]["edge"]
+
root["energy"] = dat.energy
root["energy"].attrs["units"] = "eV"
root["intensity"] = dat.norm
- root.attrs["default"] = "plot"
- plot = root["plot"] = nexus.NXdata()
- plot["energy"] = root["energy"]
- plot["intensity"] = root["intensity"]
- plot.attrs["signal"] = "intensity"
- plot.attrs["axes"] = "energy"
+ element = create_nxclass(root, "element", "NXelement")
+ element["symbol"] = dat.attrs["element"]["symbol"]
+
+ edge = create_nxclass(root, "edge", "NXedge")
+ edge["name"] = dat.attrs["element"]["edge"]
+
+ plot = create_nxclass(root, "plot", "NXdata", signal="intensity", axes="energy")
+ plot["energy"] = h5py.SoftLink(root["energy"].name)
+ plot["intensity"] = h5py.SoftLink(root["intensity"].name)
plot["energy"].attrs["units"] = "eV"
plot["energy"].attrs["long_name"] = "Energy (eV)"
plot["intensity"].attrs["long_name"] = "Normalized mu(E)"
@@ -53,13 +56,13 @@ def xdi2nexus(filename, nxroot, entry_name="entry", data_mode="transmission"):
names = {}
# sample
- sample = nexus.NXsample(chemical_formula="Fe")
+ sample = create_nxclass(root, "sample", "NXsample")
for aname, value in dat.attrs["sample"].items():
- setattr(sample, aname, value)
+ sample[aname] = value
if aname.lower() == "name":
names["sample"] = value
- # process
+ # process
kwargs = ", ".join([f"{k}={v}" for k, v in dat.callargs.pre_edge.items()])
preline = f"pre_edge = {gformat(pre_offset, 12)} + {gformat(pre_slope, 12)}*energy"
@@ -109,9 +112,13 @@ def xdi2nexus(filename, nxroot, entry_name="entry", data_mode="transmission"):
j = j[1:].strip()
header.append(j)
- root["process"] = nexus.NXprocess(
- program="xraylarch", version="0.9.80", notes=notes
- )
+ process = create_nxclass(root, "process", "NXprocess")
+ process.attrs["NX_class"] = "NXprocess"
+ process["program"] = "xraylarch"
+ process["version"] = "0.9.80"
+ nts = create_nxclass(process, "notes", "NXnote")
+ nts["data"] = notes
+ nts["type"] = "text/plain"
# rawdata
array_labels = json.dumps(["energy", "intensity", "itrans", "i0"])
@@ -121,44 +128,43 @@ def xdi2nexus(filename, nxroot, entry_name="entry", data_mode="transmission"):
root["reference"] = "None"
# scan
- scan = root["scan"] = nexus.NXcollection()
- scan.attrs["data_collector"] = "Matthew Newville"
- scan.attrs["filename"] = filename
-
- scan.headers = json.dumps(dat.attrs)
+ scan = create_nxclass(root, "scan", "NXparameters")
+ scan["headers"] = json.dumps(dat.attrs)
+ scan["data_collector"] = "Matthew Newville"
+ scan["filename"] = filename.name
for key, val in dat.attrs["scan"].items():
- setattr(scan, key, val)
+ scan[key] = val
if getattr(dat, "comments", None) is not None:
- scan.comments = dat.comments
+ scan["comments"] = dat.comments
- inst = root["instrument"] = nexus.NXinstrument()
+ inst = create_nxclass(root, "instrument", "NXinstrument")
- source = inst["source"] = nexus.NXsource(
- type="Synchrotron X-ray Source", probe="x-ray"
- )
+ source = create_nxclass(inst, "source", "NXsource")
+ source["type"] = "Synchrotron X-ray Source"
+ source["probe"] = "x-ray"
if "facility" in dat.attrs:
for aname, value in dat.attrs["facility"].items():
if aname.lower() == "energy":
words = value.split(maxsplit=1)
en_value = float(words[0])
- source.energy = en_value
+ source["energy"] = en_value
if len(words) > 1:
- source.energy.attrs["units"] = words[1]
+ source["energy"].attrs["units"] = words[1]
else:
- setattr(source, aname, value)
+ source[aname] = value
if aname.lower() == "name":
names["facility"] = value
- bl = inst["beamline"] = nexus.NXcollection()
+ bl = create_nxclass(inst, "beamline", "NXparameters")
for aname, value in dat.attrs["beamline"].items():
- setattr(bl, aname, value)
+ bl[aname] = value
if aname.lower() == "name":
names["beamline"] = value
title_words = [
- names.get("sample", filename),
+ names.get("sample", filename.name),
names.get("facility", ""),
names.get("beamline", ""),
]
@@ -187,25 +193,28 @@ def parse_mono_string(mono_name):
refl = (refl[0], refl[1], refl[2])
refl = [int(w.strip()) for w in refl]
- except:
+ except Exception:
refl = (1, 1, 1)
return mono_type, refl
+ monochromator = create_nxclass(inst, "monochromator", "NXmonochromator")
+ monochromator["energy"] = h5py.SoftLink(root["energy"].name)
+
+ crystal = create_nxclass(monochromator, "crystal", "NXcrystal")
mono_type, refl = parse_mono_string(mono_name)
- mono_crystal = nexus.NXcrystal(
- type=mono_type, reflection=np.array(refl), d_spacing=d_spacing
- )
+ crystal["type"] = mono_type
+ crystal["reflection"] = numpy.array(refl)
+ crystal["d_spacing"] = d_spacing
- inst["monochromator"] = nexus.NXmonochromator(
- energy=root["energy"], crystal=mono_crystal
- )
+ i0 = create_nxclass(inst, "i0", "NXdetector")
+ i0["data"] = dat.i0
+ i0["description"] = dat.attrs["detector"]["i0"]
- inst["i0"] = nexus.NXdetector(data=dat.i0, description=dat.attrs["detector"]["i0"])
- inst["itrans"] = nexus.NXdetector(
- data=dat.itrans, description=dat.attrs["detector"]["i1"]
- )
+ itrans = create_nxclass(inst, "itrans", "NXdetector")
+ itrans["data"] = dat.itrans
+ itrans["description"] = dat.attrs["detector"]["i1"]
- outfile = filename.replace(".xdi", "_new.xdi")
+ outfile = filename.parent / (filename.stem + "_new.xdi")
write_ascii(
outfile,
dat.energy,
@@ -216,12 +225,24 @@ def parse_mono_string(mono_name):
label="energy norm itrans i0",
)
- print("done ", entry_name)
+ print(f"done. Wrote group {entry_name} in file {outfile}")
+
+
+def create_nxclass(root, name, nx_class, **attrs):
+ """Create NeXus class instance with attributes."""
+ child = root.create_group(name)
+ child.attrs["NX_class"] = nx_class
+ for name, value in attrs.items():
+ child.attrs[name] = value
+ return child
+
+def main(output_filename):
+ with h5py.File(output_filename, "w") as nxroot:
+ xdi2nexus(THIS_DIRECTORY / "fe_metal_rt.xdi", nxroot, entry_name="fe_metal")
+ xdi2nexus(THIS_DIRECTORY / "fe2o3_rt.xdi", nxroot, entry_name="fe2o3")
+ xdi2nexus(THIS_DIRECTORY / "feo_rt1.xdi", nxroot, entry_name="feo")
-################
-nxroot = nexus.nxopen("fe_xas_nexus.h5", "w")
-xdi2nexus("fe_metal_rt.xdi", nxroot, entry_name="fe_metal")
-xdi2nexus("fe2o3_rt.xdi", nxroot, entry_name="fe2o3")
-xdi2nexus("feo_rt1.xdi", nxroot, entry_name="feo")
+if __name__ == "__main__":
+ main(THIS_DIRECTORY / ".." / ".." / "nxxas_examples" / f"{THIS_DIRECTORY.name}.h5")
diff --git a/conversion_examples/KEK_PFdata/Fe_XAS_PF9A_nexus.h5 b/conversion_examples/KEK_PFdata/Fe_XAS_PF9A_nexus.h5
deleted file mode 100644
index 909209c..0000000
Binary files a/conversion_examples/KEK_PFdata/Fe_XAS_PF9A_nexus.h5 and /dev/null differ
diff --git a/conversion_examples/KEK_PFdata/PF9A_2022_new.dat b/conversion_examples/KEK_PFdata/PF9A_2022_new.dat
deleted file mode 100644
index 93089ce..0000000
--- a/conversion_examples/KEK_PFdata/PF9A_2022_new.dat
+++ /dev/null
@@ -1,1460 +0,0 @@
-# XDI/1.1
-# Column.1: energy eV
-# Column.2: norm
-# Column.3: ifluor
-# Column.4: i0
-# Column.5: angle_drive
-# Column.6: angle_read
-# Column.7: time
-# Mono : Si(111) D= 3.13551 A Initial angle= 13.93250 deg
-# BL9A Fluorescence( 3) Repetition= 1 Points= 1426
-# Param file : Std-EXAFS energy axis(2) Block = 6
-# Block Init-Eng Final-Eng Step/eV Time/s Num
-# 1 6606.20 7061.20 6.50 1.00 70
-# 2 7061.20 7076.20 1.00 1.00 15
-# 3 7076.20 7181.20 0.10 2.00 1050
-# 4 7181.20 7211.20 1.00 2.00 30
-# 5 7211.20 7611.20 2.50 3.00 160
-# 6 7611.20 8211.20 6.00 3.00 101
-# Ortec(-1) NDCH = 3
-# Angle(c) Angle(o) time/s 2 3
-# Mode 0 0 1 3
-# Offset 0 0 7753.700 7157.100
-# Process.program: xraylarch
-# Process.version: 0.9.80
-# Process.command: pre_edge(data, nvict=0, pre1=-150, pre2=-50, norm1=150, norm2=750, make_flat=True)
-# Process.step1: energy = col1 # column 1: energy (eV)
-# Process.step2: ifluor = col3 # column 3: fluorescence intensity
-# Process.step3: i0 = col4 # column 4: incident beam intensity
-# Process.step4: mu = iflour/i0
-# Process.step5: edge_step = 0.098521351
-# Process.step6: pre_edge = -0.027966096 + 4.853685e-6*energy
-# Process.step7: intensity = norm = (mu - pre_edge) /edge_step
-#---------------------------------
-# energy norm ifluor i0 angle_drive angle_read time
- 6565.12779878 0.03979262106 14016.0000000 1792467.00000 17.4144600000 17.4144000000 1.00000000000
- 6571.58952744 0.03850904977 13757.0000000 1781004.00000 17.3967900000 17.3970000000 1.00000000000
- 6578.04994189 0.03661599781 13451.0000000 1777083.00000 17.3791600000 17.3791000000 1.00000000000
- 6584.50899194 0.03558633264 13267.0000000 1769157.00000 17.3615700000 17.3618000000 1.00000000000
- 6590.96662726 0.03388295473 12957.0000000 1759846.00000 17.3440200000 17.3439000000 1.00000000000
- 6597.42648823 0.03129164240 12583.0000000 1762663.00000 17.3265000000 17.3269000000 1.00000000000
- 6603.88484837 0.02950837980 12371.0000000 1768729.00000 17.3090200000 17.3088000000 1.00000000000
- 6610.34536290 0.02855491618 12318.0000000 1777051.00000 17.2915700000 17.2917000000 1.00000000000
- 6616.80428987 0.02714140418 12127.0000000 1777163.00000 17.2741600000 17.2741000000 1.00000000000
- 6623.26529935 0.02525837859 11804.0000000 1769811.00000 17.2567800000 17.2570000000 1.00000000000
- 6629.72463386 0.02268497826 11456.0000000 1776825.00000 17.2394400000 17.2393000000 1.00000000000
- 6636.18597837 0.02136506437 11268.0000000 1774830.00000 17.2221300000 17.2223000000 1.00000000000
- 6642.64555985 0.02054767168 11188.0000000 1775986.00000 17.2048600000 17.2048000000 1.00000000000
- 6649.10332640 0.01836275435 10849.0000000 1773964.00000 17.1876300000 17.1877000000 1.00000000000
- 6655.56298537 0.01828568365 10846.0000000 1766610.00000 17.1704300000 17.1704000000 1.00000000000
- 6662.02450742 0.01607537167 10461.0000000 1757253.00000 17.1532600000 17.1531000000 1.00000000000
- 6668.48408836 0.01487274183 10297.0000000 1755397.00000 17.1361300000 17.1364000000 1.00000000000
- 6674.94167559 0.01342514805 10128.0000000 1759973.00000 17.1190400000 17.1188000000 1.00000000000
- 6681.40100642 0.01285815778 10047.0000000 1753365.00000 17.1019800000 17.1020000000 1.00000000000
- 6687.86205092 0.01210825014 9922.00000000 1744496.00000 17.0849500000 17.0849000000 1.00000000000
- 6694.32097358 0.01094162103 9781.00000000 1745356.00000 17.0679600000 17.0679000000 1.00000000000
- 6700.78153428 0.01014111792 9687.00000000 1743362.00000 17.0510000000 17.0510000000 1.00000000000
- 6707.23988181 0.00912945921 9566.00000000 1743018.00000 17.0340800000 17.0340000000 1.00000000000
- 6713.69979109 0.00842451713 9454.00000000 1734652.00000 17.0171900000 17.0174000000 1.00000000000
- 6720.15739521 0.00856377433 9547.00000000 1737351.00000 17.0003400000 17.0002000000 1.00000000000
- 6726.62032819 0.00793666898 9465.00000000 1732015.00000 16.9835100000 16.9835000000 1.00000000000
- 6733.07702709 0.00707955445 9322.00000000 1722587.00000 16.9667300000 16.9669000000 1.00000000000
- 6739.53899280 0.00671105176 9236.00000000 1708255.00000 16.9499700000 16.9498000000 1.00000000000
- 6745.99848289 0.00665799728 9201.00000000 1693598.00000 16.9332500000 16.9333000000 1.00000000000
- 6752.45544274 0.00639521810 8679.00000000 1595914.00000 16.9165700000 16.9167000000 1.00000000000
- 6758.91758296 0.00586611691 9135.00000000 1686202.00000 16.8999100000 16.8998000000 1.00000000000
- 6765.37711422 0.00553263905 9112.00000000 1682423.00000 16.8832900000 16.8833000000 1.00000000000
- 6771.83787963 0.00565315793 9142.00000000 1674595.00000 16.8667000000 16.8668000000 1.00000000000
- 6778.29594120 0.00464979898 8936.00000000 1657355.00000 16.8501500000 16.8501000000 1.00000000000
- 6784.75515728 0.00452858405 8943.00000000 1652704.00000 16.8336300000 16.8335000000 1.00000000000
- 6791.21549561 0.00416681994 8939.00000000 1653274.00000 16.8171400000 16.8172000000 1.00000000000
- 6797.67299436 0.00365402821 8397.00000000 1558559.00000 16.8006900000 16.8008000000 1.00000000000
- 6804.13547205 0.00367887497 8962.00000000 1653053.00000 16.7842600000 16.7842000000 1.00000000000
- 6810.59502932 0.00340913897 9040.00000000 1665972.00000 16.7678700000 16.7679000000 1.00000000000
- 6817.05160985 0.00251426448 8959.00000000 1668518.00000 16.7515200000 16.7515000000 1.00000000000
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diff --git a/conversion_examples/KEK_PFdata/SAVE.dat b/conversion_examples/KEK_PFdata/SAVE.dat
deleted file mode 100644
index bc70f4d..0000000
--- a/conversion_examples/KEK_PFdata/SAVE.dat
+++ /dev/null
@@ -1,1446 +0,0 @@
- 9809 KEK-PF BL9A
- Fe010 22.05.11 17:26 - 22.05.11 18:33 Serial#KEKPF-BL9A_030107
- F2T0
- Ring : 2.5 GeV 425.1 mA - 449.9 mA
- Mono : Si(111) D= 3.13551 A Initial angle= 13.93250 deg
- BL9A Fluorescence( 3) Repetition= 1 Points= 1426
- Param file : Std-EXAFS energy axis(2) Block = 6
-
- Block Init-Eng Final-Eng Step/eV Time/s Num
- 1 6606.20 7061.20 6.50 1.00 70
- 2 7061.20 7076.20 1.00 1.00 15
- 3 7076.20 7181.20 0.10 2.00 1050
- 4 7181.20 7211.20 1.00 2.00 30
- 5 7211.20 7611.20 2.50 3.00 160
- 6 7611.20 8211.20 6.00 3.00 101
- Ortec(-1) NDCH = 3
- Angle(c) Angle(o) time/s 2 3
- Mode 0 0 1 3
- Offset 0 0 7753.700 7157.100
- 17.41446 17.41440 1.00 1792467 14016
- 17.39679 17.39700 1.00 1781004 13757
- 17.37916 17.37910 1.00 1777083 13451
- 17.36157 17.36180 1.00 1769157 13267
- 17.34402 17.34390 1.00 1759846 12957
- 17.32650 17.32690 1.00 1762663 12583
- 17.30902 17.30880 1.00 1768729 12371
- 17.29157 17.29170 1.00 1777051 12318
- 17.27416 17.27410 1.00 1777163 12127
- 17.25678 17.25700 1.00 1769811 11804
- 17.23944 17.23930 1.00 1776825 11456
- 17.22213 17.22230 1.00 1774830 11268
- 17.20486 17.20480 1.00 1775986 11188
- 17.18763 17.18770 1.00 1773964 10849
- 17.17043 17.17040 1.00 1766610 10846
- 17.15326 17.15310 1.00 1757253 10461
- 17.13613 17.13640 1.00 1755397 10297
- 17.11904 17.11880 1.00 1759973 10128
- 17.10198 17.10200 1.00 1753365 10047
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- 17.06796 17.06790 1.00 1745356 9781
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- 17.03408 17.03400 1.00 1743018 9566
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- 17.00034 17.00020 1.00 1737351 9547
- 16.98351 16.98350 1.00 1732015 9465
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- 13.93273 13.93280 3.00 2019824 254754
-
diff --git a/conversion_examples/KEK_PFdata/make_xas.py b/conversion_examples/KEK_PFdata/make_xas.py
index 9db4b48..5e9df65 100644
--- a/conversion_examples/KEK_PFdata/make_xas.py
+++ b/conversion_examples/KEK_PFdata/make_xas.py
@@ -1,12 +1,13 @@
-from nexusformat import nexus
+import json
from pathlib import Path
+
import h5py
-import json
-import numpy as np
+import numpy
from larch.xafs import pre_edge
-from larch.io import read_xdi, read_ascii, write_ascii
+from larch.io import read_ascii, write_ascii
from larch.utils import gformat
+THIS_DIRECTORY = Path(__file__).parent
PLANCK_HC = 12398.419843320027
DEG2RAD = 0.017453292519943295
@@ -24,12 +25,10 @@ def kekpf2nexus(filename, nxroot, entry_name="entry", metadata=None):
for k, v in vf.items():
meta[kf.lower()][k.lower()] = v
- print(meta)
monod = meta["monochromator"]["d_spacing"]
- dat.energy = PLANCK_HC / (2 * monod * np.sin(DEG2RAD * (dat.data[0, :])))
+ dat.energy = PLANCK_HC / (2 * monod * numpy.sin(DEG2RAD * (dat.data[0, :])))
dat.mu = dat.ifluor / dat.i0
- ncolumns = len(dat.array_labels) + 3
pre_edge(dat, pre1=-150, pre2=-50, norm1=150, norm2=750)
pre_offset = dat.pre_edge_details.pre_offset
@@ -50,36 +49,41 @@ def kekpf2nexus(filename, nxroot, entry_name="entry", metadata=None):
array_labels.append(label)
coldata.append(dat.data[i, :])
- root = nxroot[entry_name] = nexus.NXentry()
- root.attrs["default"] = "plot"
+ root = create_nxclass(nxroot, entry_name, "NXentry", default="plot")
+ nxroot.attrs["default"] = entry_name
root["definition"] = "NXxas"
+
root["mode"] = "fluorescence"
- root["element"] = meta["element"]["symbol"]
- root["absorption_edge"] = meta["element"]["edge"]
+
root["energy"] = dat.energy
root["energy"].attrs["units"] = "eV"
root["intensity"] = dat.norm
- plot = root["plot"] = nexus.NXdata()
- plot["energy"] = root["energy"]
- plot["intensity"] = root["intensity"]
- plot.attrs["signal"] = "intensity"
- plot.attrs["axes"] = "energy"
+ element = create_nxclass(root, "element", "NXelement")
+ element["symbol"] = meta["element"]["symbol"]
+
+ edge = create_nxclass(root, "edge", "NXedge")
+ edge["name"] = meta["element"]["edge"]
+
+ plot = create_nxclass(root, "plot", "NXdata", signal="intensity", axes="energy")
+ plot["energy"] = h5py.SoftLink(root["energy"].name)
+ plot["intensity"] = h5py.SoftLink(root["intensity"].name)
plot["energy"].attrs["units"] = "eV"
plot["energy"].attrs["long_name"] = "Energy (eV)"
plot["intensity"].attrs["long_name"] = "Normalized mu(E)"
names = {}
- # sample
- sample = root["sample"] = nexus.NXsample()
+ # sample
+ sample = create_nxclass(root, "sample", "NXsample")
for aname, value in meta["sample"].items():
- setattr(sample, aname, value)
+ sample[aname] = value
if aname.lower() == "name":
names["sample"] = value
+
sample["prep"] = "unknown sample"
- # process
+ # process
kwargs = []
for k, v in dat.callargs.pre_edge.items():
if v is not None:
@@ -140,56 +144,60 @@ def kekpf2nexus(filename, nxroot, entry_name="entry", metadata=None):
j = j[1:].strip()
header.append(j)
- root["process"] = nexus.NXprocess(
- program="xraylarch", version="0.9.80", notes=notes
- )
+ process = create_nxclass(root, "process", "NXprocess")
+ process.attrs["NX_class"] = "NXprocess"
+ process["program"] = "xraylarch"
+ process["version"] = "0.9.80"
+ nts = create_nxclass(process, "notes", "NXnote")
+ nts["data"] = notes
+ nts["type"] = "text/plain"
# rawdata
- root["rawdata"] = np.array(coldata).T
+ root["rawdata"] = numpy.array(coldata).T
root["rawdata"].attrs["array_labels"] = json.dumps(array_labels)
root["reference"] = "None"
# scan
- scan = root["scan"] = nexus.NXcollection()
- scan.headers = json.dumps(meta)
- scan.data_collector = "KEK PF BL9A"
- scan.filename = filename
+ scan = create_nxclass(root, "scan", "NXparameters")
+ scan["headers"] = json.dumps(meta)
+ scan["data_collector"] = "KEK PF BL9A"
+ scan["filename"] = filename.name
if "scan" in meta:
for key, val in meta["scan"].items():
- setattr(scan, key, val)
+ scan[key] = val
if getattr(dat, "comments", None) is not None:
- scan.comments = dat.comments
+ scan["comments"] = dat.comments
- inst = root["instrument"] = nexus.NXinstrument()
+ inst = create_nxclass(root, "instrument", "NXinstrument")
- source = inst["source"] = nexus.NXsource(
- type="Synchrotron X-ray Source", probe="x-ray"
- )
+ source = create_nxclass(inst, "source", "NXsource")
+ source["type"] = "Synchrotron X-ray Source"
+ source["probe"] = "x-ray"
if "facility" in meta:
for aname, value in meta["facility"].items():
if aname.lower() == "energy":
words = value.split(maxsplit=1)
en_value = float(words[0])
- source.energy = en_value
+ source["energy"] = en_value
if len(words) > 1:
- source.energy.attrs["units"] = words[1]
+ source["energy"].attrs["units"] = words[1]
else:
- setattr(source, aname, value)
+ source[aname] = value
if aname.lower() == "name":
names["facility"] = value
if "beamline" in meta:
- bl = inst["beamline"] = nexus.NXcollection()
+ bl = create_nxclass(inst, "beamline", "NXparameters")
for aname, value in meta["beamline"].items():
- setattr(bl, aname, value)
+ bl[aname] = value
if aname.lower() == "name":
names["beamline"] = value
title_words = [
- names.get("sample", filename),
+ names.get("sample", filename.name),
names.get("facility", ""),
names.get("beamline", ""),
]
@@ -219,40 +227,61 @@ def parse_mono_string(mono_name):
refl = (refl[0], refl[1], refl[2])
refl = [int(w.strip()) for w in refl]
- except:
+ except Exception:
refl = (1, 1, 1)
return mono_type, refl
+ monochromator = create_nxclass(inst, "monochromator", "NXmonochromator")
+ monochromator["energy"] = h5py.SoftLink(root["energy"].name)
+
+ crystal = create_nxclass(monochromator, "crystal", "NXcrystal")
mono_type, refl = parse_mono_string(mono_name)
- mono_crystal = nexus.NXcrystal(
- type=mono_type, reflection=np.array(refl), d_spacing=d_spacing
- )
+ crystal["type"] = mono_type
+ crystal["reflection"] = numpy.array(refl)
+ crystal["d_spacing"] = d_spacing
- inst["monochromator"] = nexus.NXmonochromator(
- energy=root["energy"], crystal=mono_crystal
- )
+ i0 = create_nxclass(inst, "i0", "NXdetector")
+ i0["data"] = dat.i0
+ i0["description"] = "Ion Chamber"
- inst["i0"] = nexus.NXdetector(data=dat.i0, description="Ion Chamber")
- inst["ifluor"] = nexus.NXdetector(data=dat.ifluor, description="Ion Chamber")
+ ifluor = create_nxclass(inst, "ifluor", "NXdetector")
+ ifluor["data"] = dat.ifluor
+ ifluor["description"] = "Ion Chamber"
- fpath = Path(filename)
- outfile = fpath.stem + "_new" + fpath.suffix
+ outfile = filename.parent / (filename.stem + "_new" + filename.suffix)
write_ascii(outfile, *coldata, header=header, label=collabel)
- print(f"done. Wrote group {entry_name} and file {outfile}")
+ print(f"done. Wrote group {entry_name} in file {outfile}")
+
+
+def create_nxclass(root, name, nx_class, **attrs):
+ """Create NeXus class instance with attributes."""
+ child = root.create_group(name)
+ child.attrs["NX_class"] = nx_class
+ for name, value in attrs.items():
+ child.attrs[name] = value
+ return child
+
+def main(output_filename):
+ with h5py.File(output_filename, "w") as nxroot:
-################
+ metadata = {
+ "sample": {"name": "fe010"},
+ "element": {"symbol": "Fe", "edge": "K"},
+ "monochromator": {"crystal": "Si 111", "d_spacing": 3.1551},
+ "facility": {"name": "Photon Factory", "beamline": "BL9A"},
+ "detector": {"i0": "20 cm, He", "ifluor": "Vortex ME-4"},
+ }
-metadata = {
- "sample": {"name": "fe010"},
- "element": {"symbol": "Fe", "edge": "K"},
- "monochromator": {"crystal": "Si 111", "d_spacing": 3.1551},
- "facility": {"name": "Photon Factory", "beamline": "BL9A"},
- "detector": {"i0": "20 cm, He", "ifluor": "Vortex ME-4"},
-}
+ kekpf2nexus(
+ THIS_DIRECTORY / "PF9A_2022.dat",
+ nxroot,
+ entry_name="fe010",
+ metadata=metadata,
+ )
-nxroot = nexus.nxopen("Fe_XAS_PF9A_nexus.h5", "w")
-kekpf2nexus("PF9A_2022.dat", nxroot, entry_name="fe010", metadata=metadata)
+if __name__ == "__main__":
+ main(THIS_DIRECTORY / ".." / ".." / "nxxas_examples" / f"{THIS_DIRECTORY.name}.h5")
diff --git a/conversion_examples/MultiElementFluor/V_XANES_ap10_new.001 b/conversion_examples/MultiElementFluor/V_XANES_ap10_new.001
deleted file mode 100644
index 535fc19..0000000
--- a/conversion_examples/MultiElementFluor/V_XANES_ap10_new.001
+++ /dev/null
@@ -1,460 +0,0 @@
-# XDI/1.1
-# Column.1: energy eV
-# Column.2: norm
-# Column.3: ifluor
-# Column.4: i0
-# Column.5: tscaler
-# Column.6: i1
-# Column.7: i2
-# Column.8: outputcounts_mca1
-# Column.9: outputcounts_mca2
-# Column.10: outputcounts_mca3
-# Column.11: outputcounts_mca4
-# Column.12: ca_ka_mca1
-# Column.13: ca_ka_mca2
-# Column.14: ca_ka_mca3
-# Column.15: ca_ka_mca4
-# Column.16: v_ka_mca1
-# Column.17: v_ka_mca2
-# Column.18: v_ka_mca3
-# Column.19: v_ka_mca4
-# Column.20: clock_mca1
-# Column.21: clock_mca2
-# Column.22: clock_mca3
-# Column.23: clock_mca4
-# Column.24: dtfactor_mca1
-# Column.25: dtfactor_mca2
-# Column.26: dtfactor_mca3
-# Column.27: dtfactor_mca4
-# Legend.End: here
-# Scan.end_time: 2018-11-27 07:34:40
-# ExtraPVs.Start: Family.Member: Value | PV
-# Beamline.FOE_Slit_HPos: 0.0250 || 13IDA:m5.VAL
-# Beamline.FOE_Slit_HWid: 0.8000 || 13IDA:m6.VAL
-# Beamline.FOE_Slit_VPos: -0.1250 || 13IDA:m7.VAL
-# Beamline.FOE_Slit_VWid: 0.2500 || 13IDA:m8.VAL
-# Beamline.FluxEstimate: 1.467e+12 || 13XRM:ION:FluxOut.VAL
-# Beamline.I0_Sensitivity_Number: 100 || 13IDE:A1sens_num.VAL
-# Beamline.I0_Sensitivity_Unit: nA/V || 13IDE:A1sens_unit.VAL
-# Beamline.I1_Sensitivity_Number: 200 || 13IDE:A2sens_num.VAL
-# Beamline.I1_Sensitivity_Unit: nA/V || 13IDE:A2sens_unit.VAL
-# Beamline.I2_Sensitivity_Number: 20 || 13IDE:A3sens_num.VAL
-# Beamline.I2_Sensitivity_Unit: nA/V || 13IDE:A3sens_unit.VAL
-# Beamline.SSA_Slit_HPos: 0 || 13IDA:m69.VAL
-# Beamline.SSA_Slit_HWid: 0.0500 || 13IDA:m70.VAL
-# Beamline.SSA_Slit_VPos: 0.7500 || 13IDA:m71.VAL
-# Beamline.SSA_Slit_VWid: 0.3000 || 13IDA:m72.VAL
-# DetectorStage.X: 15380.0 || 13IDE:m34.VAL
-# DetectorStage.Y: 291.740 || 13IDE:m4.VAL
-# DetectorStage.Z: 125.0000 || 13IDE:m19.VAL
-# Facility.Ring_Current: 86.5 || S:SRcurrentAI.VAL
-# Facility.Ring_Lifetime: 73.3 || S:SRlifeTimeHrsCC.VAL
-# Monochromator.d_spacing: 3.13477 || 13IDE:En:dspace.VAL
-# Monochromator.height: 24.90000 || 13IDE:En:height.VAL
-# Monochromator.theta_offset: 17.54913 || 13IDA:m65.OFF
-# Monochromator.xtal2_pitch: -0.1160 || 13IDA:m67.VAL
-# Monochromator.xtal2_rol: 1.0400 || 13IDA:m68.VAL
-# Monochromator.xtal2_y: 13.3075 || 13IDA:m66.VAL
-# Monochromator.xtal2_y_off: 11.6000 || 13IDA:m66.OFF
-# SampleStage.CoarseX: 130.7285 || 13XRM:m4.VAL
-# SampleStage.CoarseY: 89.3002 || 13XRM:m5.VAL
-# SampleStage.CoarseZ: 211.0609 || 13XRM:m6.VAL
-# SampleStage.FineX: -0.15999 || 13XRM:m1.VAL
-# SampleStage.FineY: -0.14400 || 13XRM:m2.VAL
-# SampleStage.Theta: 0 || 13XRM:m3.VAL
-# Undulator.Energy: 5.801 || ID13us:Energy.VAL
-# Monochromator.Energy: 5599.50000 || 13IDE:En:Energy.VAL
-# ExtraPVs.End: here
-# ScanParameters.Start: Scan.Member: Value
-# ScanParameters.ScanType: xafs
-# ScanParameters.element: V
-# ScanParameters.edge: K
-# ScanParameters.E0: 5465.000
-# ScanParameters.Legend: Start, Stop, Step, K-space, Time
-# ScanParameters.Region1: -100.000, -10.000, 2.500 False 0.50
-# ScanParameters.Region2: -10.000, 25.008, 0.150 False 0.50
-# ScanParameters.Region3: 2.562, 8.500, 0.060 True 0.50
-# ScanParameters.End: here
-# Process.program: xraylarch
-# Process.version: 0.9.80
-# Process.command: pre_edge(data, nvict=0, pre1=-150, pre2=-50, norm1=150, norm2=750, make_flat=True)
-# Process.step1: using col1..col27 for 27 from arrays in rawdata
-# Process.step2: energy = col1 # column 1: energy (eV)
-# Process.step3: i0 = col4 # column 4: incident beam intensity
-# Process.step4: # fluorescence: sum 4 channels, with deadtime corection from columns in the data
-# Process.step5: ifluor = col16*col24+col17*col25+col18*col26+col19*col27
-# Process.step6: mu = iflour/i0
-# Process.step7: edge_step = 0.002835842
-# Process.step8: pre_edge = -4.244040e-4 + 9.851122e-8*energy
-# Process.step9: intensity = norm = (mu - pre_edge) /edge_step
-# /// Users Comments ///
-#
-#---------------------------------
-# energy norm ifluor i0 tscaler i1 i2 outputcounts_mca1 outputcounts_mca2 outputcounts_mca3 outputcounts_mca4 ca_ka_mca1 ca_ka_mca2 ca_ka_mca3 ca_ka_mca4 v_ka_mca1 v_ka_mca2 v_ka_mca3 v_ka_mca4 clock_mca1 clock_mca2 clock_mca3 clock_mca4 dtfactor_mca1 dtfactor_mca2 dtfactor_mca3 dtfactor_mca4
- 5365.01623500 -0.00002595885 1095.53185000 10530247.0000 24999424.0000 46711.0000000 375.000000000 107376.000000 94166.0000000 107826.000000 144060.000000 74034.0000000 62503.0000000 70964.0000000 95979.0000000 116.000000000 369.000000000 296.000000000 294.000000000 39994318.0000 39994318.0000 39994318.0000 39994318.0000 1.01782700000 1.01513200000 1.02002700000 1.02364700000
- 5367.51292000 -0.00053293928 1062.66896200 10332733.0000 24999423.0000 46697.0000000 374.000000000 105463.000000 92398.0000000 105472.000000 141343.000000 72869.0000000 61246.0000000 69606.0000000 94578.0000000 92.0000000000 364.000000000 267.000000000 320.000000000 39994316.0000 39994316.0000 39994316.0000 39994316.0000 1.01750900000 1.01484800000 1.01958600000 1.02320000000
- 5370.01752600 0.00069803343 1088.98690600 10217316.0000 24999478.0000 46803.0000000 375.000000000 103642.000000 90757.0000000 104954.000000 140171.000000 71369.0000000 60307.0000000 69329.0000000 93557.0000000 90.0000000000 372.000000000 268.000000000 339.000000000 39994404.0000 39994404.0000 39994404.0000 39994404.0000 1.01720400000 1.01458000000 1.01948200000 1.02299000000
- 5372.51742900 0.00019487509 1076.70891400 10215273.0000 24999370.0000 46817.0000000 374.000000000 104101.000000 90810.0000000 104675.000000 139998.000000 71740.0000000 60563.0000000 69076.0000000 93307.0000000 105.000000000 360.000000000 269.000000000 323.000000000 39994231.0000 39994231.0000 39994231.0000 39994231.0000 1.01727500000 1.01458700000 1.01943000000 1.02296300000
- 5375.01893800 -0.00029131594 1055.16029600 10119545.0000 24999291.0000 46737.0000000 375.000000000 103543.000000 90187.0000000 103901.000000 138190.000000 71470.0000000 59883.0000000 68734.0000000 92428.0000000 87.0000000000 360.000000000 268.000000000 321.000000000 39994105.0000 39994105.0000 39994105.0000 39994105.0000 1.01718800000 1.01449100000 1.01928800000 1.02267600000
- 5377.51753000 0.00016897053 1088.79945500 10289070.0000 24999952.0000 46729.0000000 374.000000000 105071.000000 91909.0000000 105101.000000 141151.000000 72606.0000000 60765.0000000 69335.0000000 94004.0000000 101.000000000 404.000000000 271.000000000 293.000000000 39995162.0000 39995162.0000 39995162.0000 39995162.0000 1.01743800000 1.01476600000 1.01951200000 1.02315700000
- 5380.01862800 -0.00105267815 1065.72650100 10386898.0000 24998914.0000 46644.0000000 374.000000000 105402.000000 92119.0000000 106795.000000 142684.000000 72651.0000000 61305.0000000 70477.0000000 95175.0000000 101.000000000 364.000000000 286.000000000 295.000000000 39993501.0000 39993501.0000 39993501.0000 39993501.0000 1.01749300000 1.01479800000 1.01982600000 1.02340000000
- 5382.51951500 -0.00043704503 1075.91179200 10286439.0000 24999495.0000 46696.0000000 375.000000000 104781.000000 91355.0000000 105148.000000 141027.000000 72197.0000000 60861.0000000 69360.0000000 94041.0000000 87.0000000000 363.000000000 262.000000000 344.000000000 39994431.0000 39994431.0000 39994431.0000 39994431.0000 1.01738800000 1.01467600000 1.01952000000 1.02313200000
- 5385.01746300 0.00025127494 1113.87996800 10430251.0000 24999406.0000 46727.0000000 374.000000000 106302.000000 92964.0000000 107413.000000 142506.000000 73469.0000000 61673.0000000 70862.0000000 94984.0000000 110.000000000 367.000000000 275.000000000 341.000000000 39994289.0000 39994289.0000 39994289.0000 39994289.0000 1.01764200000 1.01493500000 1.01994400000 1.02338300000
- 5387.51700300 0.00075485412 1142.55056500 10533574.0000 24999382.0000 46701.0000000 374.000000000 107243.000000 93318.0000000 108812.000000 143330.000000 73865.0000000 62093.0000000 72025.0000000 95396.0000000 94.0000000000 381.000000000 312.000000000 334.000000000 39994250.0000 39994250.0000 39994250.0000 39994250.0000 1.01780300000 1.01499700000 1.02020900000 1.02352700000
- 5390.01813500 -0.00061840917 1104.76057200 10539643.0000 24999399.0000 46699.0000000 374.000000000 107685.000000 93575.0000000 108017.000000 144203.000000 74222.0000000 62059.0000000 71530.0000000 95928.0000000 106.000000000 378.000000000 284.000000000 316.000000000 39994277.0000 39994277.0000 39994277.0000 39994277.0000 1.01788300000 1.01504100000 1.02006400000 1.02367500000
- 5392.51904000 0.00007173602 1136.33140100 10617632.0000 24999700.0000 46725.0000000 375.000000000 108336.000000 93780.0000000 108388.000000 144681.000000 74522.0000000 62307.0000000 71412.0000000 96396.0000000 122.000000000 390.000000000 295.000000000 308.000000000 39994759.0000 39994759.0000 39994759.0000 39994759.0000 1.01799000000 1.01507600000 1.02013500000 1.02375700000
- 5395.01880200 0.00135965930 1175.21638100 10595013.0000 24999058.0000 46688.0000000 374.000000000 108473.000000 94264.0000000 107910.000000 144537.000000 74584.0000000 62587.0000000 70858.0000000 96038.0000000 119.000000000 393.000000000 297.000000000 344.000000000 39993733.0000 39993733.0000 39993733.0000 39993733.0000 1.01801000000 1.01515200000 1.02004700000 1.02373400000
- 5397.52015000 -0.00065042596 1103.75155700 10465296.0000 24999909.0000 46715.0000000 374.000000000 106446.000000 93330.0000000 107307.000000 143742.000000 73406.0000000 61764.0000000 70366.0000000 95838.0000000 95.0000000000 371.000000000 286.000000000 331.000000000 39995094.0000 39995094.0000 39995094.0000 39995094.0000 1.01767700000 1.01499800000 1.01992900000 1.02359000000
- 5400.02125900 0.00249475053 1199.25867700 10461687.0000 24999010.0000 46771.0000000 375.000000000 106408.000000 93393.0000000 107108.000000 142467.000000 73473.0000000 61854.0000000 70431.0000000 94619.0000000 95.0000000000 429.000000000 324.000000000 329.000000000 39993656.0000 39993656.0000 39993656.0000 39993656.0000 1.01767100000 1.01501000000 1.01989300000 1.02339000000
- 5402.52303900 -0.00188474877 1067.06642000 10414440.0000 24999448.0000 46687.0000000 374.000000000 105813.000000 93350.0000000 106758.000000 143004.000000 73079.0000000 61822.0000000 70475.0000000 95356.0000000 86.0000000000 352.000000000 279.000000000 330.000000000 39994357.0000 39994357.0000 39994357.0000 39994357.0000 1.01757100000 1.01499900000 1.01982400000 1.02346900000
- 5405.02457200 0.00170868850 1170.68642700 10369497.0000 24999351.0000 46697.0000000 374.000000000 105762.000000 92508.0000000 107121.000000 141934.000000 73059.0000000 61419.0000000 70742.0000000 94379.0000000 107.000000000 402.000000000 315.000000000 325.000000000 39994201.0000 39994201.0000 39994201.0000 39994201.0000 1.01755400000 1.01486200000 1.01989000000 1.02328700000
- 5407.52218900 -0.00014001977 1120.70191200 10386436.0000 24999742.0000 46646.0000000 375.000000000 105797.000000 92424.0000000 106285.000000 142458.000000 72966.0000000 61636.0000000 69968.0000000 95014.0000000 96.0000000000 396.000000000 296.000000000 312.000000000 39994827.0000 39994827.0000 39994827.0000 39994827.0000 1.01756400000 1.01485000000 1.01973600000 1.02337600000
- 5410.02046100 -0.00060574942 1107.60456600 10368315.0000 24999616.0000 46678.0000000 374.000000000 105954.000000 92608.0000000 106074.000000 141599.000000 73123.0000000 61497.0000000 69719.0000000 94439.0000000 96.0000000000 365.000000000 300.000000000 326.000000000 39994625.0000 39994625.0000 39994625.0000 39994625.0000 1.01758700000 1.01488000000 1.01969700000 1.02323900000
- 5412.52122100 -0.00053040080 1113.45906700 10378426.0000 24998799.0000 46663.0000000 374.000000000 106100.000000 92968.0000000 106560.000000 141924.000000 73022.0000000 61465.0000000 70249.0000000 94315.0000000 102.000000000 411.000000000 282.000000000 298.000000000 39993319.0000 39993319.0000 39993319.0000 39993319.0000 1.01761500000 1.01493900000 1.01978900000 1.02329500000
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diff --git a/conversion_examples/MultiElementFluor/V_XANES_ap11_new.001 b/conversion_examples/MultiElementFluor/V_XANES_ap11_new.001
deleted file mode 100644
index 658e88f..0000000
--- a/conversion_examples/MultiElementFluor/V_XANES_ap11_new.001
+++ /dev/null
@@ -1,460 +0,0 @@
-# XDI/1.1
-# Column.1: energy eV
-# Column.2: norm
-# Column.3: ifluor
-# Column.4: i0
-# Column.5: tscaler
-# Column.6: i1
-# Column.7: i2
-# Column.8: outputcounts_mca1
-# Column.9: outputcounts_mca2
-# Column.10: outputcounts_mca3
-# Column.11: outputcounts_mca4
-# Column.12: ca_ka_mca1
-# Column.13: ca_ka_mca2
-# Column.14: ca_ka_mca3
-# Column.15: ca_ka_mca4
-# Column.16: v_ka_mca1
-# Column.17: v_ka_mca2
-# Column.18: v_ka_mca3
-# Column.19: v_ka_mca4
-# Column.20: clock_mca1
-# Column.21: clock_mca2
-# Column.22: clock_mca3
-# Column.23: clock_mca4
-# Column.24: dtfactor_mca1
-# Column.25: dtfactor_mca2
-# Column.26: dtfactor_mca3
-# Column.27: dtfactor_mca4
-# Legend.End: here
-# Scan.end_time: 2018-11-27 07:38:02
-# ExtraPVs.Start: Family.Member: Value | PV
-# Beamline.FOE_Slit_HPos: 0.0250 || 13IDA:m5.VAL
-# Beamline.FOE_Slit_HWid: 0.8000 || 13IDA:m6.VAL
-# Beamline.FOE_Slit_VPos: -0.1250 || 13IDA:m7.VAL
-# Beamline.FOE_Slit_VWid: 0.2500 || 13IDA:m8.VAL
-# Beamline.FluxEstimate: 2.536e+12 || 13XRM:ION:FluxOut.VAL
-# Beamline.I0_Sensitivity_Number: 100 || 13IDE:A1sens_num.VAL
-# Beamline.I0_Sensitivity_Unit: nA/V || 13IDE:A1sens_unit.VAL
-# Beamline.I1_Sensitivity_Number: 200 || 13IDE:A2sens_num.VAL
-# Beamline.I1_Sensitivity_Unit: nA/V || 13IDE:A2sens_unit.VAL
-# Beamline.I2_Sensitivity_Number: 20 || 13IDE:A3sens_num.VAL
-# Beamline.I2_Sensitivity_Unit: nA/V || 13IDE:A3sens_unit.VAL
-# Beamline.SSA_Slit_HPos: 0 || 13IDA:m69.VAL
-# Beamline.SSA_Slit_HWid: 0.0500 || 13IDA:m70.VAL
-# Beamline.SSA_Slit_VPos: 0.7500 || 13IDA:m71.VAL
-# Beamline.SSA_Slit_VWid: 0.3000 || 13IDA:m72.VAL
-# DetectorStage.X: 15380.0 || 13IDE:m34.VAL
-# DetectorStage.Y: 291.740 || 13IDE:m4.VAL
-# DetectorStage.Z: 125.0000 || 13IDE:m19.VAL
-# Facility.Ring_Current: 86.5 || S:SRcurrentAI.VAL
-# Facility.Ring_Lifetime: 76.6 || S:SRlifeTimeHrsCC.VAL
-# Monochromator.d_spacing: 3.13477 || 13IDE:En:dspace.VAL
-# Monochromator.height: 24.90000 || 13IDE:En:height.VAL
-# Monochromator.theta_offset: 17.54913 || 13IDA:m65.OFF
-# Monochromator.xtal2_pitch: -0.1160 || 13IDA:m67.VAL
-# Monochromator.xtal2_rol: 1.0400 || 13IDA:m68.VAL
-# Monochromator.xtal2_y: 13.3075 || 13IDA:m66.VAL
-# Monochromator.xtal2_y_off: 11.6000 || 13IDA:m66.OFF
-# SampleStage.CoarseX: 130.7285 || 13XRM:m4.VAL
-# SampleStage.CoarseY: 89.3002 || 13XRM:m5.VAL
-# SampleStage.CoarseZ: 211.0609 || 13XRM:m6.VAL
-# SampleStage.FineX: -0.60799 || 13XRM:m1.VAL
-# SampleStage.FineY: -0.35600 || 13XRM:m2.VAL
-# SampleStage.Theta: 0 || 13XRM:m3.VAL
-# Undulator.Energy: 5.767 || ID13us:Energy.VAL
-# Monochromator.Energy: 5600.00000 || 13IDE:En:Energy.VAL
-# ExtraPVs.End: here
-# ScanParameters.Start: Scan.Member: Value
-# ScanParameters.ScanType: xafs
-# ScanParameters.element: V
-# ScanParameters.edge: K
-# ScanParameters.E0: 5465.000
-# ScanParameters.Legend: Start, Stop, Step, K-space, Time
-# ScanParameters.Region1: -100.000, -10.000, 2.500 False 0.50
-# ScanParameters.Region2: -10.000, 25.008, 0.150 False 0.50
-# ScanParameters.Region3: 2.562, 8.500, 0.060 True 0.50
-# ScanParameters.End: here
-# Process.program: xraylarch
-# Process.version: 0.9.80
-# Process.command: pre_edge(data, nvict=0, pre1=-150, pre2=-50, norm1=150, norm2=750, make_flat=True)
-# Process.step1: using col1..col27 for 27 from arrays in rawdata
-# Process.step2: energy = col1 # column 1: energy (eV)
-# Process.step3: i0 = col4 # column 4: incident beam intensity
-# Process.step4: # fluorescence: sum 4 channels, with deadtime corection from columns in the data
-# Process.step5: ifluor = col16*col24+col17*col25+col18*col26+col19*col27
-# Process.step6: mu = iflour/i0
-# Process.step7: edge_step = 0.002353972
-# Process.step8: pre_edge = 3.426641e-5 + 1.351898e-8*energy
-# Process.step9: intensity = norm = (mu - pre_edge) /edge_step
-# /// Users Comments ///
-#
-#---------------------------------
-# energy norm ifluor i0 tscaler i1 i2 outputcounts_mca1 outputcounts_mca2 outputcounts_mca3 outputcounts_mca4 ca_ka_mca1 ca_ka_mca2 ca_ka_mca3 ca_ka_mca4 v_ka_mca1 v_ka_mca2 v_ka_mca3 v_ka_mca4 clock_mca1 clock_mca2 clock_mca3 clock_mca4 dtfactor_mca1 dtfactor_mca2 dtfactor_mca3 dtfactor_mca4
- 5365.01803700 0.00587291122 1253.82840000 10394805.0000 24999303.0000 46798.0000000 375.000000000 288934.000000 93967.0000000 107287.000000 141326.000000 199450.000000 62162.0000000 70802.0000000 94171.0000000 236.000000000 433.000000000 275.000000000 287.000000000 39994125.0000 39994125.0000 39994125.0000 39994125.0000 1.01759700000 1.01509800000 1.01992400000 1.02320200000
- 5367.51292000 -0.00118091680 1067.69940300 10261418.0000 24999400.0000 46810.0000000 375.000000000 105986.000000 92911.0000000 105997.000000 139188.000000 72968.0000000 61714.0000000 70168.0000000 92782.0000000 95.0000000000 365.000000000 265.000000000 323.000000000 39994279.0000 39994279.0000 39994279.0000 39994279.0000 1.01748900000 1.01492100000 1.01967600000 1.02284100000
- 5370.01662400 -0.00006241540 1077.54327700 10097236.0000 24999471.0000 46723.0000000 374.000000000 105439.000000 91618.0000000 104173.000000 137830.000000 72823.0000000 60922.0000000 68749.0000000 91965.0000000 92.0000000000 375.000000000 283.000000000 308.000000000 39994393.0000 39994393.0000 39994393.0000 39994393.0000 1.01725700000 1.01471500000 1.01933600000 1.02261500000
- 5372.51833200 -0.00101473370 1057.27277600 10116596.0000 24999298.0000 46745.0000000 375.000000000 104022.000000 91673.0000000 104574.000000 138059.000000 71963.0000000 60834.0000000 69123.0000000 92291.0000000 101.000000000 356.000000000 265.000000000 316.000000000 39994116.0000 39994116.0000 39994116.0000 39994116.0000 1.01716000000 1.01472100000 1.01940800000 1.02264500000
- 5375.01893800 -0.00018063971 1096.17538200 10292148.0000 24999447.0000 46887.0000000 375.000000000 103445.000000 93223.0000000 106233.000000 140114.000000 71717.0000000 61820.0000000 70055.0000000 93600.0000000 85.0000000000 385.000000000 310.000000000 296.000000000 39994355.0000 39994355.0000 39994355.0000 39994355.0000 1.01754500000 1.01497300000 1.01972200000 1.02299200000
- 5377.51843500 -0.00237561765 1036.99986300 10229561.0000 24999502.0000 46913.0000000 374.000000000 105760.000000 92454.0000000 105617.000000 139512.000000 72941.0000000 61357.0000000 69406.0000000 93278.0000000 93.0000000000 367.000000000 259.000000000 299.000000000 39994442.0000 39994442.0000 39994442.0000 39994442.0000 1.01747100000 1.01485200000 1.01960800000 1.02289600000
- 5380.01862800 -0.00068930871 1087.29044600 10318180.0000 24999363.0000 46959.0000000 375.000000000 105289.000000 93859.0000000 106253.000000 140653.000000 72853.0000000 62436.0000000 70157.0000000 93654.0000000 90.0000000000 360.000000000 291.000000000 326.000000000 39994219.0000 39994219.0000 39994219.0000 39994219.0000 1.01770300000 1.01507800000 1.01973000000 1.02309100000
- 5382.52042200 -0.00124986603 1083.42389300 10408483.0000 24999369.0000 46917.0000000 375.000000000 106697.000000 94303.0000000 107258.000000 141561.000000 73454.0000000 62503.0000000 70628.0000000 94539.0000000 87.0000000000 345.000000000 305.000000000 326.000000000 39994229.0000 39994229.0000 39994229.0000 39994229.0000 1.01771300000 1.01515400000 1.01992200000 1.02324700000
- 5385.02109400 -0.00109786004 1091.50020600 10446768.0000 24999370.0000 46937.0000000 375.000000000 106689.000000 94902.0000000 107587.000000 142490.000000 73780.0000000 62898.0000000 70806.0000000 95279.0000000 109.000000000 375.000000000 264.000000000 323.000000000 39994232.0000 39994232.0000 39994232.0000 39994232.0000 1.01788100000 1.01524900000 1.01998200000 1.02339800000
- 5387.52063800 -0.00251009612 1058.89004300 10464217.0000 24999453.0000 46986.0000000 375.000000000 107730.000000 94693.0000000 108111.000000 142617.000000 74426.0000000 62668.0000000 71423.0000000 94973.0000000 91.0000000000 369.000000000 273.000000000 306.000000000 39994364.0000 39994364.0000 39994364.0000 39994364.0000 1.01785400000 1.01521900000 1.02008200000 1.02342200000
- 5390.01995400 -0.00073587741 1101.70822200 10452464.0000 24999478.0000 46912.0000000 375.000000000 107525.000000 94587.0000000 108302.000000 142931.000000 74326.0000000 62847.0000000 71433.0000000 95320.0000000 80.0000000000 395.000000000 282.000000000 324.000000000 39994404.0000 39994404.0000 39994404.0000 39994404.0000 1.01785200000 1.01520000000 1.02011500000 1.02346800000
- 5392.52086100 0.00141197605 1160.67017200 10504604.0000 24999417.0000 46933.0000000 375.000000000 107532.000000 94917.0000000 108498.000000 142673.000000 74249.0000000 63146.0000000 71719.0000000 95089.0000000 115.000000000 424.000000000 284.000000000 316.000000000 39994306.0000 39994306.0000 39994306.0000 39994306.0000 1.01800000000 1.01525600000 1.02015700000 1.02344000000
- 5395.02062500 0.00099473307 1145.62277800 10458184.0000 24999364.0000 46924.0000000 375.000000000 108412.000000 94706.0000000 107895.000000 143144.000000 74600.0000000 62737.0000000 71064.0000000 95209.0000000 116.000000000 376.000000000 299.000000000 333.000000000 39994222.0000 39994222.0000 39994222.0000 39994222.0000 1.01793400000 1.01521900000 1.02004100000 1.02350700000
- 5397.52106300 0.00068409056 1137.20944800 10447900.0000 24999435.0000 46920.0000000 375.000000000 108039.000000 94515.0000000 107557.000000 142719.000000 74489.0000000 62677.0000000 70714.0000000 95135.0000000 95.0000000000 417.000000000 281.000000000 323.000000000 39994336.0000 39994336.0000 39994336.0000 39994336.0000 1.01786700000 1.01518500000 1.01997400000 1.02342800000
- 5400.02217300 0.00081446305 1147.44804200 10509070.0000 24999382.0000 46914.0000000 375.000000000 107669.000000 95613.0000000 108347.000000 142871.000000 74648.0000000 63173.0000000 71271.0000000 95299.0000000 106.000000000 421.000000000 286.000000000 313.000000000 39994252.0000 39994252.0000 39994252.0000 39994252.0000 1.01787000000 1.01535300000 1.02011600000 1.02344100000
- 5402.52121000 -0.00253517649 1049.50107800 10356720.0000 24999435.0000 46921.0000000 375.000000000 107758.000000 94037.0000000 107370.000000 141523.000000 74365.0000000 62492.0000000 70739.0000000 94719.0000000 81.0000000000 380.000000000 269.000000000 300.000000000 39994337.0000 39994337.0000 39994337.0000 39994337.0000 1.01760700000 1.01510900000 1.01993900000 1.02323300000
- 5405.02091100 0.00094181886 1148.52138000 10483627.0000 24999862.0000 46824.0000000 375.000000000 106043.000000 95035.0000000 108304.000000 143287.000000 73065.0000000 63303.0000000 71263.0000000 95117.0000000 127.000000000 402.000000000 283.000000000 315.000000000 39995019.0000 39995019.0000 39995019.0000 39995019.0000 1.01796000000 1.01526900000 1.02011400000 1.02352400000
- 5407.52127300 0.00141937352 1149.71208400 10384732.0000 24998967.0000 46696.0000000 375.000000000 108216.000000 94148.0000000 107725.000000 141650.000000 74523.0000000 62658.0000000 70965.0000000 94352.0000000 92.0000000000 376.000000000 295.000000000 365.000000000 39993587.0000 39993587.0000 39993587.0000 39993587.0000 1.01774300000 1.01512800000 1.02000700000 1.02325900000
- 5410.02137800 0.00115787874 1145.46167400 10400994.0000 24999370.0000 46685.0000000 375.000000000 106884.000000 94203.0000000 107541.000000 142202.000000 73661.0000000 62529.0000000 70785.0000000 94991.0000000 105.000000000 393.000000000 287.000000000 339.000000000 39994231.0000 39994231.0000 39994231.0000 39994231.0000 1.01780600000 1.01513500000 1.01997000000 1.02334100000
- 5412.52213800 0.00031486127 1131.25966000 10457257.0000 24999424.0000 46706.0000000 375.000000000 107319.000000 94644.0000000 108180.000000 142360.000000 73714.0000000 63135.0000000 71203.0000000 95180.0000000 116.000000000 382.000000000 283.000000000 329.000000000 39994318.0000 39994318.0000 39994318.0000 39994318.0000 1.01792400000 1.01520300000 1.02008900000 1.02336700000
- 5415.02171500 0.00177315728 1160.68074700 10396083.0000 24999489.0000 46763.0000000 374.000000000 108063.000000 94510.0000000 108067.000000 141742.000000 74568.0000000 62648.0000000 71150.0000000 94158.0000000 94.0000000000 416.000000000 300.000000000 329.000000000 39994422.0000 39994422.0000 39994422.0000 39994422.0000 1.01788500000 1.01518800000 1.02007300000 1.02328100000
- 5417.52102100 0.00063835894 1135.17226000 10413615.0000 24999718.0000 46734.0000000 375.000000000 107750.000000 94850.0000000 107964.000000 141870.000000 74258.0000000 62786.0000000 71016.0000000 94406.0000000 107.000000000 409.000000000 274.000000000 324.000000000 39994789.0000 39994789.0000 39994789.0000 39994789.0000 1.01781300000 1.01523300000 1.02004600000 1.02328200000
- 5420.02189100 -0.00009911352 1106.51661900 10311759.0000 24998973.0000 46800.0000000 375.000000000 107399.000000 93988.0000000 106887.000000 140725.000000 74082.0000000 62313.0000000 70177.0000000 93820.0000000 117.000000000 382.000000000 266.000000000 321.000000000 39993596.0000 39993596.0000 39993596.0000 39993596.0000 1.01757600000 1.01509700000 1.01984600000 1.02309700000
- 5422.52156300 -0.00112669603 1083.16947700 10323649.0000 24999448.0000 46821.0000000 374.000000000 105911.000000 93676.0000000 106859.000000 140863.000000 73013.0000000 62350.0000000 70561.0000000 94090.0000000 109.000000000 361.000000000 269.000000000 324.000000000 39994356.0000 39994356.0000 39994356.0000 39994356.0000 1.01756400000 1.01504400000 1.01983700000 1.02311100000
- 5425.02279700 -0.00116530494 1074.81595600 10249607.0000 24999495.0000 46828.0000000 375.000000000 105879.000000 92809.0000000 105726.000000 139441.000000 73139.0000000 61952.0000000 69618.0000000 93183.0000000 110.000000000 354.000000000 284.000000000 307.000000000 39994431.0000 39994431.0000 39994431.0000 39994431.0000 1.01758000000 1.01491100000 1.01963100000 1.02289400000
- 5427.52374600 0.00149556474 1134.04921700 10201813.0000 24999304.0000 46792.0000000 374.000000000 105945.000000 93600.0000000 105626.000000 139595.000000 72942.0000000 62237.0000000 69733.0000000 92914.0000000 94.0000000000 391.000000000 264.000000000 364.000000000 39994126.0000 39994126.0000 39994126.0000 39994126.0000 1.01759900000 1.01503300000 1.01961000000 1.02291200000
- 5430.02440700 0.00144752469 1133.79117800 10206771.0000 24999477.0000 46758.0000000 375.000000000 106100.000000 92261.0000000 105364.000000 139705.000000 73173.0000000 61358.0000000 69395.0000000 93016.0000000 131.000000000 382.000000000 272.000000000 328.000000000 39994403.0000 39994403.0000 39994403.0000 39994403.0000 1.01745800000 1.01482200000 1.01956300000 1.02293000000
- 5432.52384800 0.00056495143 1118.92665700 10261758.0000 24999316.0000 46920.0000000 375.000000000 105207.000000 93221.0000000 106303.000000 140232.000000 72563.0000000 61994.0000000 69931.0000000 93654.0000000 131.000000000 332.000000000 287.000000000 348.000000000 39994145.0000 39994145.0000 39994145.0000 39994145.0000 1.01746200000 1.01497100000 1.01973300000 1.02300400000
- 5435.02206300 0.00020777151 1105.42674200 10213542.0000 24999579.0000 46879.0000000 374.000000000 105254.000000 93179.0000000 106186.000000 140311.000000 72675.0000000 61626.0000000 69872.0000000 93195.0000000 110.000000000 381.000000000 264.000000000 330.000000000 39994566.0000 39994566.0000 39994566.0000 39994566.0000 1.01750200000 1.01496400000 1.01971200000 1.02301900000
- 5437.52182600 0.00170053126 1136.96848100 10171558.0000 24999352.0000 46876.0000000 375.000000000 105507.000000 92686.0000000 105916.000000 138778.000000 72775.0000000 61257.0000000 69822.0000000 92524.0000000 103.000000000 379.000000000 290.000000000 344.000000000 39994202.0000 39994202.0000 39994202.0000 39994202.0000 1.01737600000 1.01488700000 1.01966200000 1.02277500000
- 5440.02220900 0.00026928835 1099.02692200 10134522.0000 24999411.0000 46805.0000000 374.000000000 104716.000000 92448.0000000 105276.000000 138701.000000 72275.0000000 61542.0000000 69431.0000000 92569.0000000 108.000000000 386.000000000 280.000000000 305.000000000 39994298.0000 39994298.0000 39994298.0000 39994298.0000 1.01741800000 1.01484800000 1.01954300000 1.02276200000
- 5442.52321000 0.00466476403 1178.93626700 9921658.00000 24999345.0000 46822.0000000 375.000000000 104991.000000 89726.0000000 102545.000000 135718.000000 72350.0000000 59442.0000000 67756.0000000 90502.0000000 124.000000000 411.000000000 302.000000000 321.000000000 39994192.0000 39994192.0000 39994192.0000 39994192.0000 1.01708200000 1.01441200000 1.01903000000 1.02226700000
- 5445.02296800 0.00269947620 1134.28597500 9929662.00000 24999382.0000 46806.0000000 374.000000000 102975.000000 90264.0000000 102639.000000 135902.000000 71069.0000000 59902.0000000 67774.0000000 90884.0000000 89.0000000000 405.000000000 282.000000000 338.000000000 39994251.0000 39994251.0000 39994251.0000 39994251.0000 1.01697200000 1.01449500000 1.01904600000 1.02229000000
- 5447.52333700 0.00133579085 1099.69849000 9902215.00000 24999454.0000 46865.0000000 374.000000000 102312.000000 90722.0000000 102567.000000 135438.000000 70748.0000000 60245.0000000 67539.0000000 90217.0000000 105.000000000 373.000000000 280.000000000 322.000000000 39994366.0000 39994366.0000 39994366.0000 39994366.0000 1.01697300000 1.01456700000 1.01903200000 1.02221700000
- 5450.02338300 0.00244737681 1122.00539200 9867579.00000 24999321.0000 46830.0000000 374.000000000 102333.000000 89451.0000000 102727.000000 134591.000000 70635.0000000 59248.0000000 67598.0000000 89604.0000000 106.000000000 362.000000000 324.000000000 310.000000000 39994154.0000 39994154.0000 39994154.0000 39994154.0000 1.01688300000 1.01436100000 1.01905800000 1.02207200000
- 5452.37577100 0.00147956753 1088.01057700 9761457.00000 24999502.0000 46773.0000000 374.000000000 101820.000000 88417.0000000 101070.000000 133041.000000 70414.0000000 58629.0000000 66575.0000000 88772.0000000 101.000000000 383.000000000 287.000000000 298.000000000 39994443.0000 39994443.0000 39994443.0000 39994443.0000 1.01675000000 1.01419500000 1.01874800000 1.02181700000
- 5454.14149700 0.00435411230 1168.64477200 9882804.00000 24999447.0000 46786.0000000 374.000000000 101037.000000 90239.0000000 102067.000000 134879.000000 69954.0000000 59643.0000000 67519.0000000 90152.0000000 134.000000000 413.000000000 283.000000000 318.000000000 39994355.0000 39994355.0000 39994355.0000 39994355.0000 1.01694000000 1.01448600000 1.01893600000 1.02211700000
- 5455.02622100 0.00491416659 1189.23301700 9945030.00000 24999412.0000 46701.0000000 373.000000000 102168.000000 90826.0000000 102906.000000 136339.000000 70381.0000000 60522.0000000 67786.0000000 91246.0000000 111.000000000 427.000000000 295.000000000 335.000000000 39994298.0000 39994298.0000 39994298.0000 39994298.0000 1.01695600000 1.01458300000 1.01909500000 1.02236100000
- 5455.32679900 0.00490002659 1199.79133900 10035777.0000 24999345.0000 46760.0000000 374.000000000 102215.000000 90993.0000000 103826.000000 137762.000000 70549.0000000 60353.0000000 68359.0000000 92024.0000000 141.000000000 381.000000000 305.000000000 351.000000000 39994191.0000 39994191.0000 39994191.0000 39994191.0000 1.01715100000 1.01461200000 1.01926700000 1.02259100000
- 5455.47896800 0.00273255606 1148.93512200 10038637.0000 24999412.0000 46764.0000000 374.000000000 103413.000000 91312.0000000 103798.000000 136568.000000 71493.0000000 60634.0000000 68175.0000000 91010.0000000 124.000000000 347.000000000 326.000000000 331.000000000 39994298.0000 39994298.0000 39994298.0000 39994298.0000 1.01730600000 1.01466600000 1.01926700000 1.02241400000
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- 5615.33527600 0.92163491991 19277.6034260 8456265.00000 24999394.0000 46794.0000000 374.000000000 92763.0000000 82487.0000000 93684.0000000 123237.000000 60000.0000000 51111.0000000 57420.0000000 76801.0000000 4380.00000000 4254.00000000 4671.00000000 5653.00000000 39994270.0000 39994270.0000 39994270.0000 39994270.0000 1.01551000000 1.01324200000 1.01736900000 1.02020300000
- 5618.22037200 0.92002721412 19308.4004930 8483713.00000 24999345.0000 46803.0000000 374.000000000 93512.0000000 82850.0000000 93300.0000000 124238.000000 60291.0000000 51144.0000000 57541.0000000 77477.0000000 4479.00000000 4268.00000000 4544.00000000 5696.00000000 39994192.0000 39994192.0000 39994192.0000 39994192.0000 1.01560700000 1.01330700000 1.01730400000 1.02037800000
- 5621.13253700 0.94116256430 19395.3183810 8339458.00000 24999664.0000 46716.0000000 374.000000000 94018.0000000 81448.0000000 92145.0000000 121527.000000 60611.0000000 50546.0000000 56576.0000000 75541.0000000 4525.00000000 4192.00000000 4750.00000000 5611.00000000 39994702.0000 39994702.0000 39994702.0000 39994702.0000 1.01536800000 1.01307700000 1.01708400000 1.01992700000
- 5624.06886300 0.92646493261 19277.4319900 8413791.00000 24999184.0000 46716.0000000 373.000000000 92645.0000000 82001.0000000 92289.0000000 122994.000000 59604.0000000 50694.0000000 56699.0000000 76567.0000000 4528.00000000 4173.00000000 4623.00000000 5636.00000000 39993935.0000 39993935.0000 39993935.0000 39993935.0000 1.01540700000 1.01316500000 1.01711100000 1.02016100000
- 5627.03541400 0.91465696344 18952.5807810 8373444.00000 24999807.0000 46801.0000000 374.000000000 92871.0000000 81306.0000000 91828.0000000 122196.000000 60000.0000000 50330.0000000 56282.0000000 75695.0000000 4463.00000000 4246.00000000 4408.00000000 5526.00000000 39994931.0000 39994931.0000 39994931.0000 39994931.0000 1.01533500000 1.01305300000 1.01702300000 1.02002900000
- 5630.03028900 0.92789435151 18775.9423600 8182607.00000 24999106.0000 46763.0000000 374.000000000 92443.0000000 79539.0000000 89728.0000000 118351.000000 59134.0000000 49291.0000000 55477.0000000 73625.0000000 4559.00000000 4053.00000000 4385.00000000 5480.00000000 39993809.0000 39993809.0000 39993809.0000 39993809.0000 1.01493300000 1.01276100000 1.01662400000 1.01938800000
- 5633.05157800 0.91715579869 18815.8164690 8291175.00000 24999801.0000 46748.0000000 373.000000000 90104.0000000 80731.0000000 90729.0000000 121100.000000 57880.0000000 49952.0000000 55612.0000000 75235.0000000 4352.00000000 4141.00000000 4466.00000000 5552.00000000 39994921.0000 39994921.0000 39994921.0000 39994921.0000 1.01512400000 1.01296100000 1.01682000000 1.01985000000
- 5636.10036800 0.91079220875 18748.4798480 8316246.00000 24998980.0000 46732.0000000 374.000000000 91137.0000000 81212.0000000 90977.0000000 120487.000000 58938.0000000 50219.0000000 55822.0000000 74887.0000000 4273.00000000 4098.00000000 4578.00000000 5495.00000000 39993607.0000 39993607.0000 39993607.0000 39993607.0000 1.01528400000 1.01303600000 1.01686600000 1.01975200000
- 5639.17674800 0.91747819935 18462.0051340 8132252.00000 24999363.0000 46748.0000000 374.000000000 92172.0000000 79088.0000000 89212.0000000 118182.000000 59293.0000000 49072.0000000 54997.0000000 73427.0000000 4473.00000000 4023.00000000 4294.00000000 5379.00000000 39994221.0000 39994221.0000 39994221.0000 39994221.0000 1.01492600000 1.01269400000 1.01653300000 1.01936800000
- 5642.28080800 0.90403168851 18138.3511150 8102507.00000 24999400.0000 46631.0000000 374.000000000 90009.0000000 78929.0000000 88858.0000000 117899.000000 58170.0000000 49112.0000000 54946.0000000 73542.0000000 4329.00000000 4021.00000000 4318.00000000 5184.00000000 39994279.0000 39994279.0000 39994279.0000 39994279.0000 1.01483900000 1.01266400000 1.01646200000 1.01931100000
- 5645.41264000 0.90666139688 18403.6844530 8198208.00000 24999459.0000 46675.0000000 373.000000000 89536.0000000 79580.0000000 89887.0000000 119655.000000 57763.0000000 49406.0000000 55522.0000000 74634.0000000 4302.00000000 4032.00000000 4339.00000000 5436.00000000 39994373.0000 39994373.0000 39994373.0000 39994373.0000 1.01495200000 1.01277400000 1.01665900000 1.01960500000
- 5648.57133000 0.90816175866 18308.2311410 8142721.00000 24999328.0000 46728.0000000 374.000000000 90138.0000000 78650.0000000 88994.0000000 118387.000000 57747.0000000 48876.0000000 54930.0000000 73895.0000000 4391.00000000 3892.00000000 4372.00000000 5363.00000000 39994164.0000 39994164.0000 39994164.0000 39994164.0000 1.01481700000 1.01262000000 1.01648800000 1.01938600000
- 5651.75696800 0.87829911186 17818.0966310 8180328.00000 24999436.0000 46778.0000000 374.000000000 89383.0000000 79240.0000000 89661.0000000 118034.000000 57539.0000000 49361.0000000 55279.0000000 73653.0000000 4133.00000000 3947.00000000 4289.00000000 5166.00000000 39994336.0000 39994336.0000 39994336.0000 39994336.0000 1.01492900000 1.01271800000 1.01661600000 1.01934400000
- 5654.96964400 0.89060790408 18075.0531890 8189199.00000 24999495.0000 46746.0000000 374.000000000 90036.0000000 79540.0000000 89606.0000000 117908.000000 58147.0000000 49311.0000000 55177.0000000 73283.0000000 4265.00000000 3983.00000000 4305.00000000 5235.00000000 39994431.0000 39994431.0000 39994431.0000 39994431.0000 1.01491400000 1.01276300000 1.01660400000 1.01931800000
- 5658.20844000 0.87691171421 17730.0199180 8151788.00000 24999394.0000 46749.0000000 374.000000000 89971.0000000 78924.0000000 88478.0000000 117853.000000 58288.0000000 49150.0000000 54598.0000000 73382.0000000 4239.00000000 3795.00000000 4255.00000000 5161.00000000 39994270.0000 39994270.0000 39994270.0000 39994270.0000 1.01476500000 1.01266300000 1.01639300000 1.01930300000
- 5661.47647800 0.89361407983 18001.8132140 8129628.00000 24999333.0000 46752.0000000 374.000000000 89054.0000000 78875.0000000 88269.0000000 117634.000000 57154.0000000 48856.0000000 54572.0000000 73356.0000000 4174.00000000 3970.00000000 4334.00000000 5240.00000000 39994172.0000 39994172.0000 39994172.0000 39994172.0000 1.01478600000 1.01265600000 1.01635500000 1.01926900000
- 5664.77284600 0.89609978087 17701.7500350 7972891.00000 24999370.0000 46739.0000000 374.000000000 89190.0000000 76875.0000000 86827.0000000 115204.000000 57613.0000000 47669.0000000 53713.0000000 71882.0000000 4134.00000000 3955.00000000 4163.00000000 5177.00000000 39994232.0000 39994232.0000 39994232.0000 39994232.0000 1.01438300000 1.01232900000 1.01607800000 1.01885200000
- 5668.09561600 0.88923519407 17439.2540560 7912087.00000 24999519.0000 46711.0000000 374.000000000 86805.0000000 76472.0000000 86380.0000000 114306.000000 56024.0000000 47526.0000000 53450.0000000 71288.0000000 4104.00000000 3836.00000000 4138.00000000 5094.00000000 39994470.0000 39994470.0000 39994470.0000 39994470.0000 1.01430100000 1.01226600000 1.01599600000 1.01871200000
- 5671.44487900 0.89513327123 17703.0368610 7981325.00000 24999418.0000 46712.0000000 374.000000000 86293.0000000 77289.0000000 86883.0000000 115199.000000 55507.0000000 47830.0000000 54105.0000000 72023.0000000 4145.00000000 4031.00000000 4239.00000000 5015.00000000 39994308.0000 39994308.0000 39994308.0000 39994308.0000 1.01452200000 1.01240100000 1.01609500000 1.01886900000
- 5674.82377500 0.87395127095 17078.6940740 7876750.00000 24999358.0000 46781.0000000 373.000000000 87601.0000000 75445.0000000 85611.0000000 113047.000000 56683.0000000 47026.0000000 52998.0000000 70564.0000000 4094.00000000 3758.00000000 4067.00000000 4901.00000000 39994212.0000 39994212.0000 39994212.0000 39994212.0000 1.01418400000 1.01210100000 1.01585100000 1.01850300000
- 5678.23037500 0.88656070170 16955.6160990 7714218.00000 24999519.0000 46863.0000000 374.000000000 85604.0000000 74372.0000000 83654.0000000 110907.000000 55176.0000000 46113.0000000 51386.0000000 69528.0000000 3995.00000000 3717.00000000 4033.00000000 4958.00000000 39994469.0000 39994469.0000 39994469.0000 39994469.0000 1.01398300000 1.01192500000 1.01548500000 1.01814800000
- 5681.66274000 0.88502708651 17008.8835770 7751020.00000 24999328.0000 46818.0000000 374.000000000 84416.0000000 74538.0000000 84598.0000000 111926.000000 54565.0000000 46229.0000000 52309.0000000 69544.0000000 4035.00000000 3603.00000000 4042.00000000 5073.00000000 39994164.0000 39994164.0000 39994164.0000 39994164.0000 1.01402400000 1.01195500000 1.01566200000 1.01831600000
- 5685.12300100 0.88092005604 16910.8918700 7740301.00000 24999406.0000 46773.0000000 374.000000000 84637.0000000 74170.0000000 83835.0000000 110612.000000 54482.0000000 46121.0000000 51812.0000000 69198.0000000 4042.00000000 3614.00000000 4032.00000000 4971.00000000 39994288.0000 39994288.0000 39994288.0000 39994288.0000 1.01395400000 1.01189100000 1.01551600000 1.01809600000
- 5688.61125800 0.88699627563 16413.2125500 7463485.00000 24999423.0000 46757.0000000 374.000000000 84282.0000000 71609.0000000 81173.0000000 106533.000000 54593.0000000 44618.0000000 50365.0000000 66947.0000000 3836.00000000 3614.00000000 4048.00000000 4680.00000000 39994316.0000 39994316.0000 39994316.0000 39994316.0000 1.01339700000 1.01147900000 1.01501900000 1.01742300000
- 5692.12659000 0.87638519702 16470.5603610 7575442.00000 24999442.0000 46766.0000000 373.000000000 80894.0000000 72535.0000000 81592.0000000 108311.000000 52417.0000000 45011.0000000 50422.0000000 67625.0000000 3778.00000000 3654.00000000 3928.00000000 4871.00000000 39994347.0000 39994347.0000 39994347.0000 39994347.0000 1.01363100000 1.01162600000 1.01509700000 1.01771300000
- 5695.66807000 0.87376968240 16627.5671790 7669204.00000 24999370.0000 46836.0000000 374.000000000 82344.0000000 74005.0000000 82792.0000000 109727.000000 53286.0000000 45964.0000000 51151.0000000 68646.0000000 3876.00000000 3764.00000000 3981.00000000 4762.00000000 39994231.0000 39994231.0000 39994231.0000 39994231.0000 1.01378200000 1.01186500000 1.01532300000 1.01795200000
- 5699.23681800 0.88553081053 16351.4110600 7446577.00000 24999369.0000 46823.0000000 374.000000000 83196.0000000 70927.0000000 79927.0000000 106345.000000 53699.0000000 43939.0000000 49695.0000000 66457.0000000 3943.00000000 3533.00000000 3819.00000000 4823.00000000 39994230.0000 39994230.0000 39994230.0000 39994230.0000 1.01340900000 1.01137100000 1.01478900000 1.01739300000
- 5702.83293600 0.87478504022 16325.2878040 7521155.00000 24999460.0000 46747.0000000 374.000000000 80989.0000000 71910.0000000 81134.0000000 106707.000000 52212.0000000 44636.0000000 50223.0000000 67012.0000000 3788.00000000 3620.00000000 3982.00000000 4701.00000000 39994375.0000 39994375.0000 39994375.0000 39994375.0000 1.01341300000 1.01152300000 1.01500800000 1.01744400000
- 5706.45755100 0.86412384140 16351.7817150 7621306.00000 24999393.0000 46807.0000000 374.000000000 81039.0000000 72554.0000000 81510.0000000 108167.000000 52217.0000000 45083.0000000 50394.0000000 67445.0000000 3731.00000000 3601.00000000 3947.00000000 4835.00000000 39994268.0000 39994268.0000 39994268.0000 39994268.0000 1.01359800000 1.01163600000 1.01508800000 1.01770300000
- 5710.10974000 0.86507970867 16340.8563740 7608060.00000 24999460.0000 46822.0000000 374.000000000 82053.0000000 72120.0000000 81335.0000000 107672.000000 53049.0000000 44839.0000000 50616.0000000 67195.0000000 3882.00000000 3608.00000000 3943.00000000 4672.00000000 39994376.0000 39994376.0000 39994376.0000 39994376.0000 1.01353900000 1.01156000000 1.01504800000 1.01760600000
- 5713.78754500 0.85744870255 16402.9484760 7701199.00000 24999333.0000 46784.0000000 373.000000000 81791.0000000 73164.0000000 81902.0000000 108966.000000 52703.0000000 45441.0000000 50670.0000000 68041.0000000 3792.00000000 3689.00000000 3910.00000000 4772.00000000 39994172.0000 39994172.0000 39994172.0000 39994172.0000 1.01380000000 1.01173000000 1.01515900000 1.01782800000
- 5717.49415700 0.86652396800 16221.1841640 7540057.00000 24999400.0000 46838.0000000 374.000000000 83351.0000000 71922.0000000 79826.0000000 107089.000000 53882.0000000 44763.0000000 49382.0000000 66909.0000000 3877.00000000 3622.00000000 3778.00000000 4712.00000000 39994280.0000 39994280.0000 39994280.0000 39994280.0000 1.01342400000 1.01153200000 1.01477400000 1.01752000000
- 5721.22968500 0.87444521223 16215.4873560 7472467.00000 24999472.0000 46809.0000000 374.000000000 81016.0000000 70418.0000000 79014.0000000 105768.000000 52046.0000000 43846.0000000 48785.0000000 66022.0000000 3881.00000000 3515.00000000 3812.00000000 4778.00000000 39994394.0000 39994394.0000 39994394.0000 39994394.0000 1.01326200000 1.01128800000 1.01461800000 1.01729100000
- 5724.99113300 0.85768187414 15968.4005100 7494714.00000 24999376.0000 46818.0000000 374.000000000 80104.0000000 70525.0000000 79577.0000000 105904.000000 51841.0000000 43782.0000000 49357.0000000 66088.0000000 3656.00000000 3567.00000000 3746.00000000 4773.00000000 39994240.0000 39994240.0000 39994240.0000 39994240.0000 1.01321000000 1.01130500000 1.01472100000 1.01731300000
- 5728.78067400 0.85319956730 15704.7105900 7407457.00000 24999429.0000 46811.0000000 374.000000000 79770.0000000 69258.0000000 78190.0000000 103814.000000 51517.0000000 42952.0000000 48775.0000000 64777.0000000 3777.00000000 3420.00000000 3652.00000000 4637.00000000 39994326.0000 39994326.0000 39994326.0000 39994326.0000 1.01305600000 1.01109600000 1.01445700000 1.01696200000
- 5732.59737700 0.85358073003 15909.7813530 7500826.00000 24999424.0000 46777.0000000 373.000000000 78928.0000000 70339.0000000 79685.0000000 105196.000000 50953.0000000 43778.0000000 49355.0000000 65803.0000000 3661.00000000 3489.00000000 3926.00000000 4609.00000000 39994318.0000 39994318.0000 39994318.0000 39994318.0000 1.01320100000 1.01127300000 1.01474000000 1.01719500000
diff --git a/conversion_examples/MultiElementFluor/V_XANES_ap12_new.001 b/conversion_examples/MultiElementFluor/V_XANES_ap12_new.001
deleted file mode 100644
index f01f040..0000000
--- a/conversion_examples/MultiElementFluor/V_XANES_ap12_new.001
+++ /dev/null
@@ -1,460 +0,0 @@
-# XDI/1.1
-# Column.1: energy eV
-# Column.2: norm
-# Column.3: ifluor
-# Column.4: i0
-# Column.5: tscaler
-# Column.6: i1
-# Column.7: i2
-# Column.8: outputcounts_mca1
-# Column.9: outputcounts_mca2
-# Column.10: outputcounts_mca3
-# Column.11: outputcounts_mca4
-# Column.12: ca_ka_mca1
-# Column.13: ca_ka_mca2
-# Column.14: ca_ka_mca3
-# Column.15: ca_ka_mca4
-# Column.16: v_ka_mca1
-# Column.17: v_ka_mca2
-# Column.18: v_ka_mca3
-# Column.19: v_ka_mca4
-# Column.20: clock_mca1
-# Column.21: clock_mca2
-# Column.22: clock_mca3
-# Column.23: clock_mca4
-# Column.24: dtfactor_mca1
-# Column.25: dtfactor_mca2
-# Column.26: dtfactor_mca3
-# Column.27: dtfactor_mca4
-# Legend.End: here
-# Scan.end_time: 2018-11-27 07:41:23
-# ExtraPVs.Start: Family.Member: Value | PV
-# Beamline.FOE_Slit_HPos: 0.0250 || 13IDA:m5.VAL
-# Beamline.FOE_Slit_HWid: 0.8000 || 13IDA:m6.VAL
-# Beamline.FOE_Slit_VPos: -0.1250 || 13IDA:m7.VAL
-# Beamline.FOE_Slit_VWid: 0.2500 || 13IDA:m8.VAL
-# Beamline.FluxEstimate: 1.640e+12 || 13XRM:ION:FluxOut.VAL
-# Beamline.I0_Sensitivity_Number: 100 || 13IDE:A1sens_num.VAL
-# Beamline.I0_Sensitivity_Unit: nA/V || 13IDE:A1sens_unit.VAL
-# Beamline.I1_Sensitivity_Number: 200 || 13IDE:A2sens_num.VAL
-# Beamline.I1_Sensitivity_Unit: nA/V || 13IDE:A2sens_unit.VAL
-# Beamline.I2_Sensitivity_Number: 20 || 13IDE:A3sens_num.VAL
-# Beamline.I2_Sensitivity_Unit: nA/V || 13IDE:A3sens_unit.VAL
-# Beamline.SSA_Slit_HPos: 0 || 13IDA:m69.VAL
-# Beamline.SSA_Slit_HWid: 0.0500 || 13IDA:m70.VAL
-# Beamline.SSA_Slit_VPos: 0.7500 || 13IDA:m71.VAL
-# Beamline.SSA_Slit_VWid: 0.3000 || 13IDA:m72.VAL
-# DetectorStage.X: 15380.0 || 13IDE:m34.VAL
-# DetectorStage.Y: 291.740 || 13IDE:m4.VAL
-# DetectorStage.Z: 125.0000 || 13IDE:m19.VAL
-# Facility.Ring_Current: 86.4 || S:SRcurrentAI.VAL
-# Facility.Ring_Lifetime: 81.0 || S:SRlifeTimeHrsCC.VAL
-# Monochromator.d_spacing: 3.13477 || 13IDE:En:dspace.VAL
-# Monochromator.height: 24.90000 || 13IDE:En:height.VAL
-# Monochromator.theta_offset: 17.54913 || 13IDA:m65.OFF
-# Monochromator.xtal2_pitch: -0.1160 || 13IDA:m67.VAL
-# Monochromator.xtal2_rol: 1.0400 || 13IDA:m68.VAL
-# Monochromator.xtal2_y: 13.3075 || 13IDA:m66.VAL
-# Monochromator.xtal2_y_off: 11.6000 || 13IDA:m66.OFF
-# SampleStage.CoarseX: 130.7285 || 13XRM:m4.VAL
-# SampleStage.CoarseY: 89.3002 || 13XRM:m5.VAL
-# SampleStage.CoarseZ: 211.0609 || 13XRM:m6.VAL
-# SampleStage.FineX: -0.73200 || 13XRM:m1.VAL
-# SampleStage.FineY: -0.46400 || 13XRM:m2.VAL
-# SampleStage.Theta: 0 || 13XRM:m3.VAL
-# Undulator.Energy: 5.803 || ID13us:Energy.VAL
-# Monochromator.Energy: 5600.00000 || 13IDE:En:Energy.VAL
-# ExtraPVs.End: here
-# ScanParameters.Start: Scan.Member: Value
-# ScanParameters.ScanType: xafs
-# ScanParameters.element: V
-# ScanParameters.edge: K
-# ScanParameters.E0: 5465.000
-# ScanParameters.Legend: Start, Stop, Step, K-space, Time
-# ScanParameters.Region1: -100.000, -10.000, 2.500 False 0.50
-# ScanParameters.Region2: -10.000, 25.008, 0.150 False 0.50
-# ScanParameters.Region3: 2.562, 8.500, 0.060 True 0.50
-# ScanParameters.End: here
-# Process.program: xraylarch
-# Process.version: 0.9.80
-# Process.command: pre_edge(data, nvict=0, pre1=-150, pre2=-50, norm1=150, norm2=750, make_flat=True)
-# Process.step1: using col1..col27 for 27 from arrays in rawdata
-# Process.step2: energy = col1 # column 1: energy (eV)
-# Process.step3: i0 = col4 # column 4: incident beam intensity
-# Process.step4: # fluorescence: sum 4 channels, with deadtime corection from columns in the data
-# Process.step5: ifluor = col16*col24+col17*col25+col18*col26+col19*col27
-# Process.step6: mu = iflour/i0
-# Process.step7: edge_step = 0.004052175
-# Process.step8: pre_edge = -5.131587e-4 + 1.173079e-7*energy
-# Process.step9: intensity = norm = (mu - pre_edge) /edge_step
-# /// Users Comments ///
-#
-#---------------------------------
-# energy norm ifluor i0 tscaler i1 i2 outputcounts_mca1 outputcounts_mca2 outputcounts_mca3 outputcounts_mca4 ca_ka_mca1 ca_ka_mca2 ca_ka_mca3 ca_ka_mca4 v_ka_mca1 v_ka_mca2 v_ka_mca3 v_ka_mca4 clock_mca1 clock_mca2 clock_mca3 clock_mca4 dtfactor_mca1 dtfactor_mca2 dtfactor_mca3 dtfactor_mca4
- 5365.01713600 0.00003991263 1327.24759500 11406222.0000 24999459.0000 46808.0000000 373.000000000 121379.000000 106887.000000 123834.000000 162107.000000 83542.0000000 70851.0000000 81242.0000000 107695.000000 127.000000000 465.000000000 329.000000000 378.000000000 39994374.0000 39994374.0000 39994374.0000 39994374.0000 1.02020200000 1.01721000000 1.02306100000 1.02669900000
- 5367.51292000 0.00023083648 1325.79176700 11290238.0000 24999400.0000 46725.0000000 374.000000000 120767.000000 106036.000000 122153.000000 160504.000000 83183.0000000 70047.0000000 79611.0000000 106267.000000 107.000000000 482.000000000 357.000000000 352.000000000 39994280.0000 39994280.0000 39994280.0000 39994280.0000 1.02008200000 1.01706500000 1.02273900000 1.02642000000
- 5370.01662400 -0.00030311632 1299.63043800 11246546.0000 24999532.0000 46693.0000000 374.000000000 120141.000000 105553.000000 121440.000000 159777.000000 82482.0000000 69918.0000000 79454.0000000 106217.000000 106.000000000 419.000000000 337.000000000 410.000000000 39994490.0000 39994490.0000 39994490.0000 39994490.0000 1.01997300000 1.01698400000 1.02260200000 1.02629300000
- 5372.51833200 -0.00021809306 1323.45210600 11389807.0000 24999237.0000 46658.0000000 374.000000000 121360.000000 107371.000000 123243.000000 162404.000000 83292.0000000 70582.0000000 80747.0000000 107531.000000 123.000000000 439.000000000 322.000000000 411.000000000 39994018.0000 39994018.0000 39994018.0000 39994018.0000 1.02019400000 1.01728500000 1.02294900000 1.02674100000
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- 5674.82580700 0.89133902893 36180.0125970 9611085.00000 24999345.0000 46613.0000000 375.000000000 114302.000000 101059.000000 114886.000000 151311.000000 69748.0000000 59301.0000000 67159.0000000 89348.0000000 8622.00000000 7664.00000000 8719.00000000 10439.0000000 39994191.0000 39994191.0000 39994191.0000 39994191.0000 1.01905100000 1.01628400000 1.02139500000 1.02494600000
- 5678.23037500 0.89766494351 35710.9264740 9421320.00000 24999544.0000 46614.0000000 374.000000000 112064.000000 99222.0000000 112652.000000 148094.000000 68453.0000000 58293.0000000 65444.0000000 87325.0000000 8393.00000000 7648.00000000 8614.00000000 10344.0000000 39994510.0000 39994510.0000 39994510.0000 39994510.0000 1.01866800000 1.01598000000 1.02096900000 1.02440100000
- 5681.66274000 0.89606336687 35961.0590370 9502571.00000 24999639.0000 46636.0000000 375.000000000 113332.000000 99945.0000000 113621.000000 149739.000000 69562.0000000 58648.0000000 66454.0000000 88377.0000000 8289.00000000 7748.00000000 8777.00000000 10423.0000000 39994662.0000 39994662.0000 39994662.0000 39994662.0000 1.01887900000 1.01610000000 1.02115200000 1.02467400000
- 5685.12198100 0.89026111199 35533.3081720 9447221.00000 24999135.0000 46679.0000000 375.000000000 111797.000000 99011.0000000 112975.000000 148702.000000 68153.0000000 57743.0000000 66184.0000000 87700.0000000 8481.00000000 7579.00000000 8422.00000000 10342.0000000 39993856.0000 39993856.0000 39993856.0000 39993856.0000 1.01862800000 1.01594800000 1.02102900000 1.02449700000
- 5688.60819400 0.88376065520 34920.2598250 9348685.00000 24999418.0000 46675.0000000 375.000000000 110217.000000 97816.0000000 111389.000000 147117.000000 67718.0000000 57566.0000000 65058.0000000 86966.0000000 8092.00000000 7479.00000000 8270.00000000 10390.0000000 39994308.0000 39994308.0000 39994308.0000 39994308.0000 1.01835100000 1.01574700000 1.02072400000 1.02421600000
- 5692.12352200 0.88276637540 35599.1321920 9539666.00000 24999345.0000 46759.0000000 375.000000000 112852.000000 99483.0000000 113023.000000 149849.000000 69037.0000000 58377.0000000 65809.0000000 88392.0000000 8330.00000000 7522.00000000 8522.00000000 10509.0000000 39994191.0000 39994191.0000 39994191.0000 39994191.0000 1.01881000000 1.01603000000 1.02104400000 1.02469600000
- 5695.66704600 0.87921767670 35076.5932010 9434945.00000 24999508.0000 46680.0000000 375.000000000 111319.000000 98019.0000000 112631.000000 147156.000000 68253.0000000 57831.0000000 66064.0000000 86987.0000000 8266.00000000 7381.00000000 8361.00000000 10372.0000000 39994452.0000 39994452.0000 39994452.0000 39994452.0000 1.01854400000 1.01578900000 1.02096400000 1.02424700000
- 5699.23681800 0.88613644420 35197.0922280 9395446.00000 24999243.0000 46675.0000000 375.000000000 110699.000000 98940.0000000 111548.000000 146696.000000 67856.0000000 58213.0000000 65123.0000000 86682.0000000 8395.00000000 7654.00000000 8400.00000000 10054.0000000 39994028.0000 39994028.0000 39994028.0000 39994028.0000 1.01844200000 1.01593300000 1.02075900000 1.02416400000
- 5702.83498900 0.87678982094 35200.1281890 9491143.00000 24999574.0000 46652.0000000 375.000000000 111879.000000 98675.0000000 112999.000000 148245.000000 68183.0000000 57821.0000000 65936.0000000 87493.0000000 8299.00000000 7503.00000000 8405.00000000 10291.0000000 39994557.0000 39994557.0000 39994557.0000 39994557.0000 1.01864000000 1.01589600000 1.02103500000 1.02442600000
- 5706.45960700 0.87937288070 35337.9811730 9500411.00000 24999369.0000 46679.0000000 375.000000000 111410.000000 99072.0000000 112162.000000 147952.000000 68072.0000000 58022.0000000 65488.0000000 86963.0000000 8257.00000000 7555.00000000 8415.00000000 10408.0000000 39994230.0000 39994230.0000 39994230.0000 39994230.0000 1.01855500000 1.01595300000 1.02087300000 1.02436600000
- 5710.10871100 0.87423263608 35237.0757690 9525528.00000 24999375.0000 46640.0000000 375.000000000 111646.000000 98879.0000000 112902.000000 148787.000000 68408.0000000 57976.0000000 65765.0000000 87810.0000000 8272.00000000 7570.00000000 8443.00000000 10249.0000000 39994240.0000 39994240.0000 39994240.0000 39994240.0000 1.01860200000 1.01592700000 1.02101500000 1.02451000000
- 5713.78754500 0.88000790594 34948.1019510 9386931.00000 24999370.0000 46654.0000000 375.000000000 110261.000000 97759.0000000 110511.000000 146289.000000 67591.0000000 57218.0000000 64689.0000000 86609.0000000 8284.00000000 7642.00000000 8221.00000000 10116.0000000 39994232.0000 39994232.0000 39994232.0000 39994232.0000 1.01836000000 1.01574000000 1.02056300000 1.02408800000
- 5717.49518900 0.87867831000 34640.1677920 9316615.00000 24999525.0000 46608.0000000 375.000000000 109094.000000 97119.0000000 110587.000000 144623.000000 66919.0000000 56837.0000000 64496.0000000 85290.0000000 8022.00000000 7409.00000000 8261.00000000 10272.0000000 39994480.0000 39994480.0000 39994480.0000 39994480.0000 1.01816900000 1.01563600000 1.02057400000 1.02381300000
- 5721.22968500 0.88040712127 35233.7086630 9457317.00000 24999442.0000 46620.0000000 375.000000000 110855.000000 98303.0000000 111414.000000 147231.000000 68026.0000000 57826.0000000 64966.0000000 86675.0000000 8232.00000000 7507.00000000 8506.00000000 10292.0000000 39994347.0000 39994347.0000 39994347.0000 39994347.0000 1.01846300000 1.01582900000 1.02073400000 1.02424500000
- 5724.99009800 0.88104309010 35062.3789420 9403711.00000 24999357.0000 46732.0000000 375.000000000 109513.000000 97046.0000000 110618.000000 145577.000000 66993.0000000 56764.0000000 64478.0000000 86129.0000000 8224.00000000 7517.00000000 8511.00000000 10125.0000000 39994211.0000 39994211.0000 39994211.0000 39994211.0000 1.01824100000 1.01562700000 1.02058400000 1.02397100000
- 5728.77756400 0.86741246503 34480.7849840 9385645.00000 24999328.0000 46656.0000000 375.000000000 109524.000000 96968.0000000 109263.000000 144769.000000 67215.0000000 56840.0000000 63793.0000000 85439.0000000 8123.00000000 7392.00000000 8219.00000000 10076.0000000 39994164.0000 39994164.0000 39994164.0000 39994164.0000 1.01823600000 1.01561100000 1.02032800000 1.02383700000
- 5732.59530100 0.87996385094 34335.3357060 9217324.00000 24999507.0000 46626.0000000 375.000000000 107533.000000 94900.0000000 107735.000000 143342.000000 65846.0000000 55737.0000000 62872.0000000 84475.0000000 8035.00000000 7377.00000000 8182.00000000 10083.0000000 39994451.0000 39994451.0000 39994451.0000 39994451.0000 1.01790400000 1.01527700000 1.02003800000 1.02358700000
diff --git a/conversion_examples/MultiElementFluor/V_XANES_ap1_new.001 b/conversion_examples/MultiElementFluor/V_XANES_ap1_new.001
deleted file mode 100644
index 4213784..0000000
--- a/conversion_examples/MultiElementFluor/V_XANES_ap1_new.001
+++ /dev/null
@@ -1,460 +0,0 @@
-# XDI/1.1
-# Column.1: energy eV
-# Column.2: norm
-# Column.3: ifluor
-# Column.4: i0
-# Column.5: tscaler
-# Column.6: i1
-# Column.7: i2
-# Column.8: outputcounts_mca1
-# Column.9: outputcounts_mca2
-# Column.10: outputcounts_mca3
-# Column.11: outputcounts_mca4
-# Column.12: ca_ka_mca1
-# Column.13: ca_ka_mca2
-# Column.14: ca_ka_mca3
-# Column.15: ca_ka_mca4
-# Column.16: v_ka_mca1
-# Column.17: v_ka_mca2
-# Column.18: v_ka_mca3
-# Column.19: v_ka_mca4
-# Column.20: clock_mca1
-# Column.21: clock_mca2
-# Column.22: clock_mca3
-# Column.23: clock_mca4
-# Column.24: dtfactor_mca1
-# Column.25: dtfactor_mca2
-# Column.26: dtfactor_mca3
-# Column.27: dtfactor_mca4
-# Legend.End: here
-# Scan.end_time: 2018-11-27 07:04:27
-# ExtraPVs.Start: Family.Member: Value | PV
-# Beamline.FOE_Slit_HPos: 0.0250 || 13IDA:m5.VAL
-# Beamline.FOE_Slit_HWid: 0.8000 || 13IDA:m6.VAL
-# Beamline.FOE_Slit_VPos: -0.1250 || 13IDA:m7.VAL
-# Beamline.FOE_Slit_VWid: 0.2500 || 13IDA:m8.VAL
-# Beamline.FluxEstimate: 1.313e+12 || 13XRM:ION:FluxOut.VAL
-# Beamline.I0_Sensitivity_Number: 100 || 13IDE:A1sens_num.VAL
-# Beamline.I0_Sensitivity_Unit: nA/V || 13IDE:A1sens_unit.VAL
-# Beamline.I1_Sensitivity_Number: 200 || 13IDE:A2sens_num.VAL
-# Beamline.I1_Sensitivity_Unit: nA/V || 13IDE:A2sens_unit.VAL
-# Beamline.I2_Sensitivity_Number: 20 || 13IDE:A3sens_num.VAL
-# Beamline.I2_Sensitivity_Unit: nA/V || 13IDE:A3sens_unit.VAL
-# Beamline.SSA_Slit_HPos: 0 || 13IDA:m69.VAL
-# Beamline.SSA_Slit_HWid: 0.0500 || 13IDA:m70.VAL
-# Beamline.SSA_Slit_VPos: 0.7500 || 13IDA:m71.VAL
-# Beamline.SSA_Slit_VWid: 0.3000 || 13IDA:m72.VAL
-# DetectorStage.X: 15380.0 || 13IDE:m34.VAL
-# DetectorStage.Y: 291.740 || 13IDE:m4.VAL
-# DetectorStage.Z: 125.0000 || 13IDE:m19.VAL
-# Facility.Ring_Current: 87.1 || S:SRcurrentAI.VAL
-# Facility.Ring_Lifetime: 72.2 || S:SRlifeTimeHrsCC.VAL
-# Monochromator.d_spacing: 3.13477 || 13IDE:En:dspace.VAL
-# Monochromator.height: 24.90000 || 13IDE:En:height.VAL
-# Monochromator.theta_offset: 17.54913 || 13IDA:m65.OFF
-# Monochromator.xtal2_pitch: -0.1160 || 13IDA:m67.VAL
-# Monochromator.xtal2_rol: 1.0400 || 13IDA:m68.VAL
-# Monochromator.xtal2_y: 13.3075 || 13IDA:m66.VAL
-# Monochromator.xtal2_y_off: 11.6000 || 13IDA:m66.OFF
-# SampleStage.CoarseX: 130.7285 || 13XRM:m4.VAL
-# SampleStage.CoarseY: 89.3002 || 13XRM:m5.VAL
-# SampleStage.CoarseZ: 211.0609 || 13XRM:m6.VAL
-# SampleStage.FineX: 0.18404 || 13XRM:m1.VAL
-# SampleStage.FineY: 0.42800 || 13XRM:m2.VAL
-# SampleStage.Theta: 0 || 13XRM:m3.VAL
-# Undulator.Energy: 5.760 || ID13us:Energy.VAL
-# Monochromator.Energy: 5599.50000 || 13IDE:En:Energy.VAL
-# ExtraPVs.End: here
-# ScanParameters.Start: Scan.Member: Value
-# ScanParameters.ScanType: xafs
-# ScanParameters.element: V
-# ScanParameters.edge: K
-# ScanParameters.E0: 5465.000
-# ScanParameters.Legend: Start, Stop, Step, K-space, Time
-# ScanParameters.Region1: -100.000, -10.000, 2.500 False 0.50
-# ScanParameters.Region2: -10.000, 25.008, 0.150 False 0.50
-# ScanParameters.Region3: 2.562, 8.500, 0.060 True 0.50
-# ScanParameters.End: here
-# Process.program: xraylarch
-# Process.version: 0.9.80
-# Process.command: pre_edge(data, nvict=0, pre1=-150, pre2=-50, norm1=150, norm2=750, make_flat=True)
-# Process.step1: using col1..col27 for 27 from arrays in rawdata
-# Process.step2: energy = col1 # column 1: energy (eV)
-# Process.step3: i0 = col4 # column 4: incident beam intensity
-# Process.step4: # fluorescence: sum 4 channels, with deadtime corection from columns in the data
-# Process.step5: ifluor = col16*col24+col17*col25+col18*col26+col19*col27
-# Process.step6: mu = iflour/i0
-# Process.step7: edge_step = 0.008918203
-# Process.step8: pre_edge = -3.817114e-4 + 9.133099e-8*energy
-# Process.step9: intensity = norm = (mu - pre_edge) /edge_step
-# /// Users Comments ///
-#
-#---------------------------------
-# energy norm ifluor i0 tscaler i1 i2 outputcounts_mca1 outputcounts_mca2 outputcounts_mca3 outputcounts_mca4 ca_ka_mca1 ca_ka_mca2 ca_ka_mca3 ca_ka_mca4 v_ka_mca1 v_ka_mca2 v_ka_mca3 v_ka_mca4 clock_mca1 clock_mca2 clock_mca3 clock_mca4 dtfactor_mca1 dtfactor_mca2 dtfactor_mca3 dtfactor_mca4
- 5365.01353400 0.00186345851 1255.25777200 10050161.0000 24999429.0000 47280.0000000 373.000000000 269548.000000 87397.0000000 102190.000000 139243.000000 185708.000000 58088.0000000 67423.0000000 92974.0000000 296.000000000 354.000000000 246.000000000 337.000000000 39994326.0000 39994326.0000 39994326.0000 39994326.0000 1.01668400000 1.01403700000 1.01895900000 1.02280800000
- 5367.51201900 -0.00074931379 1011.92020400 9937717.00000 24999316.0000 47296.0000000 374.000000000 100511.000000 86235.0000000 100887.000000 137737.000000 69108.0000000 57353.0000000 66686.0000000 92045.0000000 85.0000000000 343.000000000 262.000000000 304.000000000 39994146.0000 39994146.0000 39994146.0000 39994146.0000 1.01653000000 1.01385200000 1.01871700000 1.02256600000
- 5370.01933100 -0.00024937155 1048.46354200 9843452.00000 24999567.0000 47278.0000000 374.000000000 99581.0000000 85330.0000000 100588.000000 136891.000000 68710.0000000 56662.0000000 66144.0000000 91223.0000000 107.000000000 342.000000000 266.000000000 315.000000000 39994547.0000 39994547.0000 39994547.0000 39994547.0000 1.01639200000 1.01370300000 1.01865700000 1.02241400000
- 5372.52013800 0.00006539586 1090.44103800 9953878.00000 24999364.0000 47359.0000000 373.000000000 98787.0000000 86626.0000000 101253.000000 138315.000000 67871.0000000 57449.0000000 66739.0000000 91814.0000000 107.000000000 353.000000000 278.000000000 333.000000000 39994222.0000 39994222.0000 39994222.0000 39994222.0000 1.01647400000 1.01391400000 1.01878500000 1.02265600000
- 5375.01893800 0.00001460247 1087.23511000 9945018.00000 24999741.0000 47296.0000000 373.000000000 99217.0000000 86165.0000000 101118.000000 138760.000000 68323.0000000 57030.0000000 66399.0000000 92490.0000000 95.0000000000 373.000000000 286.000000000 314.000000000 39994826.0000 39994826.0000 39994826.0000 39994826.0000 1.01655500000 1.01383900000 1.01875800000 1.02272500000
- 5377.51934000 -0.00084509559 1008.77880500 9901054.00000 24998926.0000 47284.0000000 374.000000000 99726.0000000 85970.0000000 100838.000000 137648.000000 68922.0000000 56843.0000000 66556.0000000 91582.0000000 97.0000000000 340.000000000 260.000000000 294.000000000 39993521.0000 39993521.0000 39993521.0000 39993521.0000 1.01644900000 1.01380600000 1.01870400000 1.02253800000
- 5380.01953400 -0.00009675723 1089.61447400 10015927.0000 24999586.0000 47260.0000000 373.000000000 99119.0000000 86830.0000000 102279.000000 139387.000000 68584.0000000 57531.0000000 67107.0000000 92892.0000000 103.000000000 350.000000000 283.000000000 334.000000000 39994577.0000 39994577.0000 39994577.0000 39994577.0000 1.01678500000 1.01395200000 1.01898300000 1.02284500000
- 5382.51951500 -0.00023900106 1073.29162900 9961133.00000 24999279.0000 47245.0000000 374.000000000 101107.000000 86726.0000000 101558.000000 138199.000000 69773.0000000 57559.0000000 66713.0000000 91734.0000000 93.0000000000 345.000000000 265.000000000 351.000000000 39994086.0000 39994086.0000 39994086.0000 39994086.0000 1.01663700000 1.01393000000 1.01884000000 1.02263800000
- 5385.01837100 0.00027360921 1122.88411200 9976959.00000 24999460.0000 47214.0000000 374.000000000 100255.000000 86777.0000000 101015.000000 139243.000000 69139.0000000 57326.0000000 66387.0000000 92722.0000000 105.000000000 380.000000000 308.000000000 310.000000000 39994376.0000 39994376.0000 39994376.0000 39994376.0000 1.01664000000 1.01393700000 1.01873900000 1.02280400000
- 5387.51609400 -0.00022277163 1096.93053100 10124046.0000 24999399.0000 47251.0000000 373.000000000 100268.000000 88383.0000000 103128.000000 140871.000000 69096.0000000 58649.0000000 67923.0000000 93663.0000000 103.000000000 362.000000000 273.000000000 339.000000000 39994278.0000 39994278.0000 39994278.0000 39994278.0000 1.01685500000 1.01420200000 1.01914100000 1.02309100000
- 5390.01631600 -0.00022285132 1089.71882900 10036400.0000 24999502.0000 47250.0000000 374.000000000 101473.000000 87607.0000000 102332.000000 140129.000000 70186.0000000 58165.0000000 67158.0000000 93030.0000000 101.000000000 359.000000000 260.000000000 350.000000000 39994443.0000 39994443.0000 39994443.0000 39994443.0000 1.01675400000 1.01407500000 1.01899000000 1.02296100000
- 5392.51721900 0.00059816737 1172.07926500 10093074.0000 24999393.0000 47189.0000000 374.000000000 100900.000000 88022.0000000 102697.000000 140141.000000 69621.0000000 58577.0000000 67764.0000000 93163.0000000 120.000000000 401.000000000 274.000000000 356.000000000 39994268.0000 39994268.0000 39994268.0000 39994268.0000 1.01680700000 1.01413700000 1.01905400000 1.02295700000
- 5395.01697900 0.00024400627 1146.80774500 10131087.0000 24999304.0000 47246.0000000 373.000000000 101257.000000 88349.0000000 102950.000000 141249.000000 69740.0000000 58722.0000000 68032.0000000 93704.0000000 113.000000000 375.000000000 297.000000000 341.000000000 39994126.0000 39994126.0000 39994126.0000 39994126.0000 1.01695000000 1.01419500000 1.01910700000 1.02315100000
- 5397.51832600 -0.00019009384 1101.91056900 10058153.0000 24999465.0000 47294.0000000 374.000000000 102081.000000 87635.0000000 102391.000000 140874.000000 70391.0000000 58309.0000000 67267.0000000 93733.0000000 95.0000000000 370.000000000 282.000000000 335.000000000 39994384.0000 39994384.0000 39994384.0000 39994384.0000 1.01688100000 1.01408400000 1.01900700000 1.02309200000
- 5400.01943300 -0.00023087094 1096.77742900 10023671.0000 24999760.0000 47260.0000000 374.000000000 101637.000000 87433.0000000 102606.000000 139583.000000 70227.0000000 58006.0000000 67412.0000000 92792.0000000 100.000000000 358.000000000 278.000000000 341.000000000 39994855.0000 39994855.0000 39994855.0000 39994855.0000 1.01665500000 1.01403900000 1.01903500000 1.02285700000
- 5402.52029600 -8.05614925e-6 1105.47603900 9902660.00000 24999039.0000 47267.0000000 374.000000000 100365.000000 86207.0000000 100922.000000 138164.000000 69200.0000000 57162.0000000 66406.0000000 91921.0000000 113.000000000 378.000000000 279.000000000 316.000000000 39993702.0000 39993702.0000 39993702.0000 39993702.0000 1.01653700000 1.01384600000 1.01872200000 1.02262700000
- 5405.02182600 -0.00057192759 1058.88079900 9911459.00000 24999772.0000 47213.0000000 373.000000000 99644.0000000 86150.0000000 101198.000000 138162.000000 68718.0000000 57089.0000000 66487.0000000 92008.0000000 117.000000000 336.000000000 259.000000000 328.000000000 39994875.0000 39994875.0000 39994875.0000 39994875.0000 1.01656600000 1.01384400000 1.01877900000 1.02264400000
- 5407.52218900 -0.00002605798 1096.39530200 9795319.00000 24999153.0000 47245.0000000 374.000000000 99739.0000000 85328.0000000 99840.0000000 136579.000000 68863.0000000 56382.0000000 65909.0000000 91020.0000000 102.000000000 349.000000000 273.000000000 353.000000000 39993884.0000 39993884.0000 39993884.0000 39993884.0000 1.01634000000 1.01370000000 1.01851500000 1.02235900000
- 5410.01954400 -0.00034543051 1078.03220700 9862120.00000 24999766.0000 47277.0000000 374.000000000 98488.0000000 85636.0000000 100312.000000 137890.000000 67841.0000000 56842.0000000 65999.0000000 91556.0000000 101.000000000 363.000000000 269.000000000 326.000000000 39994865.0000 39994865.0000 39994865.0000 39994865.0000 1.01654300000 1.01375600000 1.01860800000 1.02258400000
- 5412.51938500 -0.00041035582 1090.54199800 10008674.0000 24998997.0000 47272.0000000 374.000000000 99689.0000000 87404.0000000 101331.000000 140258.000000 68473.0000000 57942.0000000 66513.0000000 93448.0000000 110.000000000 360.000000000 282.000000000 319.000000000 39993635.0000 39993635.0000 39993635.0000 39993635.0000 1.01680700000 1.01404500000 1.01880800000 1.02298800000
- 5415.02355300 0.00013870220 1139.36366000 9986971.00000 24999345.0000 47325.0000000 373.000000000 101200.000000 86955.0000000 102181.000000 139110.000000 69908.0000000 57720.0000000 67408.0000000 92124.0000000 98.0000000000 401.000000000 261.000000000 359.000000000 39994192.0000 39994192.0000 39994192.0000 39994192.0000 1.01666900000 1.01396800000 1.01895800000 1.02278800000
- 5417.52378000 0.00066875774 1191.15398900 10006292.0000 24999502.0000 47216.0000000 374.000000000 100422.000000 86929.0000000 101502.000000 139311.000000 69425.0000000 57580.0000000 66811.0000000 92586.0000000 128.000000000 395.000000000 317.000000000 330.000000000 39994443.0000 39994443.0000 39994443.0000 39994443.0000 1.01667300000 1.01396600000 1.01883500000 1.02282600000
- 5420.02097100 -8.82331177e-6 1125.98549900 9944605.00000 24999453.0000 47291.0000000 374.000000000 100412.000000 86498.0000000 100911.000000 138222.000000 68993.0000000 57272.0000000 66268.0000000 92031.0000000 130.000000000 373.000000000 258.000000000 345.000000000 39994365.0000 39994365.0000 39994365.0000 39994365.0000 1.01663200000 1.01389300000 1.01872000000 1.02264200000
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diff --git a/conversion_examples/MultiElementFluor/V_XANES_ap2_new.001 b/conversion_examples/MultiElementFluor/V_XANES_ap2_new.001
deleted file mode 100644
index a0b261d..0000000
--- a/conversion_examples/MultiElementFluor/V_XANES_ap2_new.001
+++ /dev/null
@@ -1,460 +0,0 @@
-# XDI/1.1
-# Column.1: energy eV
-# Column.2: norm
-# Column.3: ifluor
-# Column.4: i0
-# Column.5: tscaler
-# Column.6: i1
-# Column.7: i2
-# Column.8: outputcounts_mca1
-# Column.9: outputcounts_mca2
-# Column.10: outputcounts_mca3
-# Column.11: outputcounts_mca4
-# Column.12: ca_ka_mca1
-# Column.13: ca_ka_mca2
-# Column.14: ca_ka_mca3
-# Column.15: ca_ka_mca4
-# Column.16: v_ka_mca1
-# Column.17: v_ka_mca2
-# Column.18: v_ka_mca3
-# Column.19: v_ka_mca4
-# Column.20: clock_mca1
-# Column.21: clock_mca2
-# Column.22: clock_mca3
-# Column.23: clock_mca4
-# Column.24: dtfactor_mca1
-# Column.25: dtfactor_mca2
-# Column.26: dtfactor_mca3
-# Column.27: dtfactor_mca4
-# Legend.End: here
-# Scan.end_time: 2018-11-27 07:07:48
-# ExtraPVs.Start: Family.Member: Value | PV
-# Beamline.FOE_Slit_HPos: 0.0250 || 13IDA:m5.VAL
-# Beamline.FOE_Slit_HWid: 0.8000 || 13IDA:m6.VAL
-# Beamline.FOE_Slit_VPos: -0.1250 || 13IDA:m7.VAL
-# Beamline.FOE_Slit_VWid: 0.2500 || 13IDA:m8.VAL
-# Beamline.FluxEstimate: 1.373e+12 || 13XRM:ION:FluxOut.VAL
-# Beamline.I0_Sensitivity_Number: 100 || 13IDE:A1sens_num.VAL
-# Beamline.I0_Sensitivity_Unit: nA/V || 13IDE:A1sens_unit.VAL
-# Beamline.I1_Sensitivity_Number: 200 || 13IDE:A2sens_num.VAL
-# Beamline.I1_Sensitivity_Unit: nA/V || 13IDE:A2sens_unit.VAL
-# Beamline.I2_Sensitivity_Number: 20 || 13IDE:A3sens_num.VAL
-# Beamline.I2_Sensitivity_Unit: nA/V || 13IDE:A3sens_unit.VAL
-# Beamline.SSA_Slit_HPos: 0 || 13IDA:m69.VAL
-# Beamline.SSA_Slit_HWid: 0.0500 || 13IDA:m70.VAL
-# Beamline.SSA_Slit_VPos: 0.7500 || 13IDA:m71.VAL
-# Beamline.SSA_Slit_VWid: 0.3000 || 13IDA:m72.VAL
-# DetectorStage.X: 15380.0 || 13IDE:m34.VAL
-# DetectorStage.Y: 291.740 || 13IDE:m4.VAL
-# DetectorStage.Z: 125.0000 || 13IDE:m19.VAL
-# Facility.Ring_Current: 87.1 || S:SRcurrentAI.VAL
-# Facility.Ring_Lifetime: 72.1 || S:SRlifeTimeHrsCC.VAL
-# Monochromator.d_spacing: 3.13477 || 13IDE:En:dspace.VAL
-# Monochromator.height: 24.90000 || 13IDE:En:height.VAL
-# Monochromator.theta_offset: 17.54913 || 13IDA:m65.OFF
-# Monochromator.xtal2_pitch: -0.1160 || 13IDA:m67.VAL
-# Monochromator.xtal2_rol: 1.0400 || 13IDA:m68.VAL
-# Monochromator.xtal2_y: 13.3075 || 13IDA:m66.VAL
-# Monochromator.xtal2_y_off: 11.6000 || 13IDA:m66.OFF
-# SampleStage.CoarseX: 130.7285 || 13XRM:m4.VAL
-# SampleStage.CoarseY: 89.3002 || 13XRM:m5.VAL
-# SampleStage.CoarseZ: 211.0609 || 13XRM:m6.VAL
-# SampleStage.FineX: 0.18003 || 13XRM:m1.VAL
-# SampleStage.FineY: 0.37600 || 13XRM:m2.VAL
-# SampleStage.Theta: 0 || 13XRM:m3.VAL
-# Undulator.Energy: 5.803 || ID13us:Energy.VAL
-# Monochromator.Energy: 5599.50000 || 13IDE:En:Energy.VAL
-# ExtraPVs.End: here
-# ScanParameters.Start: Scan.Member: Value
-# ScanParameters.ScanType: xafs
-# ScanParameters.element: V
-# ScanParameters.edge: K
-# ScanParameters.E0: 5465.000
-# ScanParameters.Legend: Start, Stop, Step, K-space, Time
-# ScanParameters.Region1: -100.000, -10.000, 2.500 False 0.50
-# ScanParameters.Region2: -10.000, 25.008, 0.150 False 0.50
-# ScanParameters.Region3: 2.562, 8.500, 0.060 True 0.50
-# ScanParameters.End: here
-# Process.program: xraylarch
-# Process.version: 0.9.80
-# Process.command: pre_edge(data, nvict=0, pre1=-150, pre2=-50, norm1=150, norm2=750, make_flat=True)
-# Process.step1: using col1..col27 for 27 from arrays in rawdata
-# Process.step2: energy = col1 # column 1: energy (eV)
-# Process.step3: i0 = col4 # column 4: incident beam intensity
-# Process.step4: # fluorescence: sum 4 channels, with deadtime corection from columns in the data
-# Process.step5: ifluor = col16*col24+col17*col25+col18*col26+col19*col27
-# Process.step6: mu = iflour/i0
-# Process.step7: edge_step = 0.010006361
-# Process.step8: pre_edge = -9.385694e-4 + 1.953125e-7*energy
-# Process.step9: intensity = norm = (mu - pre_edge) /edge_step
-# /// Users Comments ///
-#
-#---------------------------------
-# energy norm ifluor i0 tscaler i1 i2 outputcounts_mca1 outputcounts_mca2 outputcounts_mca3 outputcounts_mca4 ca_ka_mca1 ca_ka_mca2 ca_ka_mca3 ca_ka_mca4 v_ka_mca1 v_ka_mca2 v_ka_mca3 v_ka_mca4 clock_mca1 clock_mca2 clock_mca3 clock_mca4 dtfactor_mca1 dtfactor_mca2 dtfactor_mca3 dtfactor_mca4
- 5365.01803700 -0.00009252406 1227.06343800 11323984.0000 24999964.0000 47401.0000000 373.000000000 114398.000000 98601.0000000 115479.000000 158079.000000 78737.0000000 65305.0000000 75674.0000000 104562.000000 113.000000000 399.000000000 299.000000000 391.000000000 39995182.0000 39995182.0000 39995182.0000 39995182.0000 1.01903200000 1.01586900000 1.02148000000 1.02598100000
- 5367.51382100 0.00004505236 1233.35340500 11189539.0000 24999334.0000 47284.0000000 374.000000000 112038.000000 97333.0000000 113495.000000 154609.000000 76987.0000000 64224.0000000 74517.0000000 102384.000000 100.000000000 448.000000000 305.000000000 356.000000000 39994174.0000 39994174.0000 39994174.0000 39994174.0000 1.01863000000 1.01565700000 1.02110100000 1.02539400000
- 5370.01662400 -0.00037806897 1179.23579400 11074850.0000 24999069.0000 47340.0000000 373.000000000 110664.000000 96264.0000000 112052.000000 153418.000000 76102.0000000 64015.0000000 73143.0000000 101600.000000 109.000000000 403.000000000 283.000000000 361.000000000 39993750.0000 39993750.0000 39993750.0000 39993750.0000 1.01840200000 1.01548400000 1.02083000000 1.02519400000
- 5372.51923500 0.00024199131 1252.75056700 11069434.0000 24999340.0000 47304.0000000 374.000000000 110905.000000 96141.0000000 112810.000000 153522.000000 76321.0000000 63488.0000000 73621.0000000 101983.000000 104.000000000 422.000000000 327.000000000 375.000000000 39994183.0000 39994183.0000 39994183.0000 39994183.0000 1.01843500000 1.01546200000 1.02096900000 1.02520400000
- 5375.01893800 0.00105665895 1375.70543500 11293665.0000 24999477.0000 47227.0000000 373.000000000 113116.000000 98258.0000000 115079.000000 156332.000000 77740.0000000 64670.0000000 75221.0000000 103803.000000 131.000000000 458.000000000 349.000000000 410.000000000 39994403.0000 39994403.0000 39994403.0000 39994403.0000 1.01881500000 1.01580900000 1.02140200000 1.02568500000
- 5377.51572000 -0.00024175753 1233.89856900 11288339.0000 24999400.0000 47084.0000000 373.000000000 113372.000000 98062.0000000 114934.000000 156192.000000 78043.0000000 65190.0000000 75074.0000000 103723.000000 114.000000000 407.000000000 310.000000000 378.000000000 39994279.0000 39994279.0000 39994279.0000 39994279.0000 1.01885600000 1.01577900000 1.02137400000 1.02566400000
- 5380.01681600 -0.00010111070 1252.27070500 11261101.0000 24999796.0000 46965.0000000 374.000000000 113284.000000 97524.0000000 114346.000000 155763.000000 77730.0000000 64192.0000000 74691.0000000 102752.000000 114.000000000 404.000000000 314.000000000 395.000000000 39994912.0000 39994912.0000 39994912.0000 39994912.0000 1.01883600000 1.01569100000 1.02126300000 1.02558900000
- 5382.51860800 -0.00021093598 1264.87146800 11437185.0000 24999171.0000 47050.0000000 373.000000000 115186.000000 99689.0000000 116504.000000 158875.000000 79124.0000000 65831.0000000 76224.0000000 105399.000000 111.000000000 431.000000000 309.000000000 388.000000000 39993912.0000 39993912.0000 39993912.0000 39993912.0000 1.01916500000 1.01604400000 1.02167300000 1.02611400000
- 5385.02018600 0.00009473435 1307.88184700 11458562.0000 24999652.0000 47119.0000000 374.000000000 115477.000000 99768.0000000 116889.000000 158684.000000 79291.0000000 65593.0000000 76527.0000000 104851.000000 119.000000000 414.000000000 360.000000000 388.000000000 39994682.0000 39994682.0000 39994682.0000 39994682.0000 1.01920900000 1.01605600000 1.02174500000 1.02608400000
- 5387.52063800 -0.00035023158 1259.63502900 11432933.0000 24999064.0000 47057.0000000 373.000000000 114314.000000 99472.0000000 116173.000000 158483.000000 78677.0000000 65719.0000000 76268.0000000 104727.000000 100.000000000 443.000000000 305.000000000 386.000000000 39993742.0000 39993742.0000 39993742.0000 39993742.0000 1.01901800000 1.01600600000 1.02160900000 1.02604100000
- 5390.02268300 -0.00009432980 1307.08842800 11544133.0000 24999345.0000 47118.0000000 373.000000000 115573.000000 100495.000000 117404.000000 160076.000000 79409.0000000 66585.0000000 76867.0000000 105673.000000 137.000000000 416.000000000 315.000000000 412.000000000 39994192.0000 39994192.0000 39994192.0000 39994192.0000 1.01923600000 1.01617700000 1.02184400000 1.02631700000
- 5392.52359300 -0.00040386068 1273.28148900 11510771.0000 24999556.0000 47113.0000000 374.000000000 115424.000000 100207.000000 117399.000000 159774.000000 79488.0000000 65833.0000000 76887.0000000 105577.000000 136.000000000 407.000000000 314.000000000 390.000000000 39994529.0000 39994529.0000 39994529.0000 39994529.0000 1.01921000000 1.01613100000 1.02184300000 1.02626900000
- 5395.02335900 0.00010317336 1338.75189600 11523250.0000 24999369.0000 47130.0000000 373.000000000 115977.000000 100769.000000 117109.000000 159751.000000 79750.0000000 66529.0000000 76822.0000000 105735.000000 129.000000000 426.000000000 336.000000000 420.000000000 39994230.0000 39994230.0000 39994230.0000 39994230.0000 1.01929800000 1.01621900000 1.02179000000 1.02626600000
- 5397.52380000 0.00050645612 1399.99537300 11598767.0000 24999256.0000 47162.0000000 374.000000000 116501.000000 101079.000000 117893.000000 160976.000000 79821.0000000 66580.0000000 77111.0000000 106277.000000 111.000000000 474.000000000 368.000000000 418.000000000 39994049.0000 39994049.0000 39994049.0000 39994049.0000 1.01938300000 1.01626800000 1.02193400000 1.02646200000
- 5400.02308600 -0.00002005274 1344.78538800 11600799.0000 24999460.0000 47156.0000000 373.000000000 116341.000000 100712.000000 118318.000000 161412.000000 79543.0000000 66529.0000000 76983.0000000 106401.000000 134.000000000 454.000000000 336.000000000 393.000000000 39994375.0000 39994375.0000 39994375.0000 39994375.0000 1.01936700000 1.01621400000 1.02201800000 1.02654200000
- 5402.52395300 3.59472431e-6 1350.92922900 11581359.0000 24999459.0000 47155.0000000 373.000000000 116742.000000 101486.000000 117421.000000 160491.000000 79831.0000000 66636.0000000 76596.0000000 106487.000000 96.0000000000 462.000000000 368.000000000 397.000000000 39994373.0000 39994373.0000 39994373.0000 39994373.0000 1.01942500000 1.01633500000 1.02184900000 1.02639100000
- 5405.02365700 0.00020023724 1383.81036400 11618625.0000 24999406.0000 47065.0000000 373.000000000 116720.000000 101403.000000 118600.000000 161760.000000 80063.0000000 66834.0000000 77703.0000000 106968.000000 121.000000000 465.000000000 351.000000000 418.000000000 39994289.0000 39994289.0000 39994289.0000 39994289.0000 1.01943000000 1.01632600000 1.02207200000 1.02660400000
- 5407.52035700 -0.00024971421 1333.76249000 11589064.0000 24999549.0000 47032.0000000 374.000000000 116861.000000 101329.000000 117712.000000 160721.000000 80374.0000000 66643.0000000 77114.0000000 106496.000000 109.000000000 440.000000000 340.000000000 417.000000000 39994518.0000 39994518.0000 39994518.0000 39994518.0000 1.01944500000 1.01631000000 1.02190400000 1.02642500000
- 5410.01862700 -0.00023181337 1338.61779800 11564224.0000 24999220.0000 47021.0000000 373.000000000 115755.000000 100892.000000 117755.000000 160326.000000 79426.0000000 66395.0000000 77117.0000000 106303.000000 136.000000000 449.000000000 320.000000000 406.000000000 39993991.0000 39993991.0000 39993991.0000 39993991.0000 1.01925800000 1.01623600000 1.02190700000 1.02635100000
- 5412.52122100 -0.00017032209 1363.51890100 11668051.0000 24999520.0000 47022.0000000 374.000000000 117972.000000 101834.000000 118963.000000 162737.000000 80696.0000000 67225.0000000 77652.0000000 107577.000000 139.000000000 449.000000000 341.000000000 406.000000000 39994471.0000 39994471.0000 39994471.0000 39994471.0000 1.01964400000 1.01640100000 1.02214800000 1.02677800000
- 5415.02355300 -0.00020992689 1348.09184100 11526919.0000 24999316.0000 47032.0000000 373.000000000 116834.000000 99845.0000000 117171.000000 160681.000000 80064.0000000 65929.0000000 76564.0000000 106529.000000 129.000000000 420.000000000 333.000000000 438.000000000 39994145.0000 39994145.0000 39994145.0000 39994145.0000 1.01943900000 1.01607400000 1.02180400000 1.02642100000
- 5417.52286000 -0.00026306373 1353.23041900 11575168.0000 24999483.0000 47045.0000000 374.000000000 116395.000000 101291.000000 117868.000000 160651.000000 79821.0000000 66574.0000000 76860.0000000 105982.000000 135.000000000 423.000000000 346.000000000 421.000000000 39994413.0000 39994413.0000 39994413.0000 39994413.0000 1.01938100000 1.01630900000 1.02193500000 1.02642700000
- 5420.02281200 0.00026924562 1427.97021500 11635736.0000 24999316.0000 47038.0000000 373.000000000 117092.000000 101224.000000 118561.000000 161376.000000 80356.0000000 66656.0000000 77359.0000000 106910.000000 150.000000000 441.000000000 347.000000000 460.000000000 39994145.0000 39994145.0000 39994145.0000 39994145.0000 1.01948400000 1.01629400000 1.02206300000 1.02653500000
- 5422.52248500 0.00043399341 1453.92768700 11644505.0000 24999537.0000 47071.0000000 373.000000000 117161.000000 101640.000000 118840.000000 161178.000000 80584.0000000 66823.0000000 77857.0000000 106585.000000 163.000000000 494.000000000 380.000000000 387.000000000 39994498.0000 39994498.0000 39994498.0000 39994498.0000 1.01950000000 1.01636400000 1.02211800000 1.02651300000
- 5425.02095200 0.00006257491 1419.51413900 11670662.0000 24999334.0000 47154.0000000 374.000000000 117307.000000 101370.000000 118673.000000 161297.000000 80611.0000000 66424.0000000 77758.0000000 106408.000000 132.000000000 466.000000000 377.000000000 415.000000000 39994174.0000 39994174.0000 39994174.0000 39994174.0000 1.01952100000 1.01631900000 1.02208400000 1.02652300000
- 5427.52190000 0.00067721124 1490.19701800 11617683.0000 24999448.0000 47200.0000000 373.000000000 117263.000000 101531.000000 118281.000000 161077.000000 80565.0000000 66992.0000000 77259.0000000 106264.000000 171.000000000 454.000000000 371.000000000 463.000000000 39994356.0000 39994356.0000 39994356.0000 39994356.0000 1.01952300000 1.01634900000 1.02201500000 1.02649800000
- 5430.02163400 0.00032985278 1452.30401400 11592265.0000 24999297.0000 47047.0000000 373.000000000 116790.000000 101233.000000 117780.000000 160856.000000 80266.0000000 67007.0000000 76953.0000000 105767.000000 153.000000000 455.000000000 357.000000000 457.000000000 39994114.0000 39994114.0000 39994114.0000 39994114.0000 1.01943700000 1.01629700000 1.02191900000 1.02645500000
- 5432.52199800 0.00031725800 1458.19849000 11605750.0000 24999622.0000 47081.0000000 374.000000000 116823.000000 101435.000000 118155.000000 160583.000000 80331.0000000 66780.0000000 77283.0000000 106078.000000 156.000000000 482.000000000 355.000000000 435.000000000 39994634.0000 39994634.0000 39994634.0000 39994634.0000 1.01944200000 1.01632900000 1.02198800000 1.02641200000
- 5435.02206300 0.00037018317 1457.39683800 11506155.0000 24999285.0000 47067.0000000 373.000000000 116475.000000 100354.000000 117371.000000 159799.000000 80004.0000000 66045.0000000 76626.0000000 105500.000000 178.000000000 423.000000000 357.000000000 469.000000000 39994096.0000 39994096.0000 39994096.0000 39994096.0000 1.01937400000 1.01615200000 1.02183700000 1.02626900000
- 5437.52182600 0.00144892874 1583.37800400 11478335.0000 24999370.0000 47095.0000000 374.000000000 115989.000000 100391.000000 116594.000000 158447.000000 79554.0000000 66031.0000000 75684.0000000 104673.000000 194.000000000 513.000000000 375.000000000 469.000000000 39994232.0000 39994232.0000 39994232.0000 39994232.0000 1.01928700000 1.01615400000 1.02169000000 1.02604600000
- 5440.02313700 0.00123696407 1566.24723100 11490125.0000 24999423.0000 47101.0000000 373.000000000 116402.000000 99807.0000000 117535.000000 159509.000000 80071.0000000 65545.0000000 76645.0000000 105147.000000 172.000000000 508.000000000 377.000000000 477.000000000 39994316.0000 39994316.0000 39994316.0000 39994316.0000 1.01936500000 1.01606700000 1.02186900000 1.02622600000
- 5442.52135200 0.00172902906 1620.48725100 11434092.0000 24999442.0000 47047.0000000 374.000000000 115324.000000 99830.0000000 116576.000000 159252.000000 78805.0000000 65936.0000000 75982.0000000 105368.000000 226.000000000 457.000000000 417.000000000 487.000000000 39994347.0000 39994347.0000 39994347.0000 39994347.0000 1.01919900000 1.01607400000 1.02169300000 1.02619400000
- 5445.02203800 0.00147772880 1584.16527300 11339929.0000 24999405.0000 47115.0000000 373.000000000 114137.000000 98949.0000000 115250.000000 157466.000000 78332.0000000 65117.0000000 75413.0000000 103697.000000 191.000000000 489.000000000 408.000000000 464.000000000 39994287.0000 39994287.0000 39994287.0000 39994287.0000 1.01898500000 1.01592200000 1.02143600000 1.02587800000
- 5447.52426700 0.00239930032 1705.10215000 11412367.0000 24999346.0000 47090.0000000 374.000000000 114843.000000 99823.0000000 115861.000000 158272.000000 78839.0000000 65903.0000000 75888.0000000 104597.000000 216.000000000 496.000000000 433.000000000 525.000000000 39994193.0000 39994193.0000 39994193.0000 39994193.0000 1.01911900000 1.01607100000 1.02156000000 1.02603000000
- 5450.02245100 0.00289943051 1772.31578200 11441626.0000 24999399.0000 47144.0000000 374.000000000 114376.000000 99621.0000000 115915.000000 159087.000000 78075.0000000 65399.0000000 75523.0000000 104860.000000 245.000000000 529.000000000 433.000000000 529.000000000 39994277.0000 39994277.0000 39994277.0000 39994277.0000 1.01903400000 1.01603300000 1.02156500000 1.02615000000
- 5452.37483900 0.00340997559 1842.06370400 11479261.0000 24999508.0000 47082.0000000 373.000000000 115560.000000 99994.0000000 116965.000000 158729.000000 79260.0000000 65733.0000000 76309.0000000 104673.000000 270.000000000 532.000000000 423.000000000 579.000000000 39994453.0000 39994453.0000 39994453.0000 39994453.0000 1.01922400000 1.01609300000 1.02176000000 1.02609200000
- 5454.13963000 0.00412581730 1924.57374500 11457399.0000 24999430.0000 47099.0000000 374.000000000 115514.000000 99953.0000000 116522.000000 159322.000000 79190.0000000 65908.0000000 76075.0000000 105277.000000 255.000000000 580.000000000 480.000000000 570.000000000 39994328.0000 39994328.0000 39994328.0000 39994328.0000 1.01922500000 1.01609000000 1.02168100000 1.02619700000
- 5455.02528700 0.00458793305 1978.90877200 11453770.0000 24999303.0000 47194.0000000 373.000000000 116388.000000 100233.000000 117216.000000 159550.000000 79831.0000000 65829.0000000 76220.0000000 105465.000000 262.000000000 580.000000000 514.000000000 582.000000000 39994125.0000 39994125.0000 39994125.0000 39994125.0000 1.01936300000 1.01613400000 1.02181000000 1.02623300000
- 5455.32679900 0.00434098214 1965.95485200 11539909.0000 24999400.0000 47193.0000000 374.000000000 116535.000000 100994.000000 117651.000000 160571.000000 79790.0000000 66343.0000000 76752.0000000 105665.000000 273.000000000 574.000000000 475.000000000 603.000000000 39994279.0000 39994279.0000 39994279.0000 39994279.0000 1.01939800000 1.01626000000 1.02189500000 1.02641100000
- 5455.47803500 0.00419569744 1953.72012600 11564775.0000 24999537.0000 47126.0000000 373.000000000 116816.000000 101138.000000 118085.000000 161364.000000 79971.0000000 66846.0000000 76950.0000000 106351.000000 300.000000000 553.000000000 492.000000000 568.000000000 39994498.0000 39994498.0000 39994498.0000 39994498.0000 1.01944200000 1.01628200000 1.02197500000 1.02653500000
- 5455.62647900 0.00361332051 1889.74320200 11583662.0000 24999370.0000 47081.0000000 374.000000000 117544.000000 101013.000000 118435.000000 161604.000000 80477.0000000 66208.0000000 77026.0000000 106748.000000 250.000000000 530.000000000 488.000000000 582.000000000 39994231.0000 39994231.0000 39994231.0000 39994231.0000 1.01956700000 1.01626700000 1.02204400000 1.02658500000
- 5455.77960000 0.00506975544 2061.41995600 11597809.0000 24999406.0000 47096.0000000 374.000000000 116889.000000 102033.000000 118274.000000 161543.000000 80047.0000000 66746.0000000 77018.0000000 106534.000000 282.000000000 573.000000000 522.000000000 641.000000000 39994289.0000 39994289.0000 39994289.0000 39994289.0000 1.01945900000 1.01642500000 1.02201200000 1.02656900000
- 5455.93086300 0.00570430379 2140.81038600 11627177.0000 24999351.0000 47141.0000000 373.000000000 117692.000000 101924.000000 118439.000000 162089.000000 80446.0000000 67093.0000000 77286.0000000 107028.000000 330.000000000 618.000000000 523.000000000 625.000000000 39994201.0000 39994201.0000 39994201.0000 39994201.0000 1.01959600000 1.01641400000 1.02204800000 1.02667000000
- 5456.07653200 0.00447534245 1996.72697900 11618857.0000 24999562.0000 47096.0000000 374.000000000 117260.000000 101314.000000 118180.000000 161438.000000 80041.0000000 66634.0000000 77176.0000000 106412.000000 278.000000000 564.000000000 538.000000000 575.000000000 39994539.0000 39994539.0000 39994539.0000 39994539.0000 1.01951700000 1.01631200000 1.02199500000 1.02655300000
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- 5618.22136700 0.94261876271 101195.224758 10551146.0000 24999166.0000 47035.0000000 373.000000000 140790.000000 122848.000000 141147.000000 191558.000000 71777.0000000 59572.0000000 68355.0000000 93852.0000000 23837.0000000 21012.0000000 23916.0000000 29863.0000000 39993905.0000 39993905.0000 39993905.0000 39993905.0000 1.02367600000 1.01992400000 1.02646600000 1.03185400000
- 5621.13353200 0.93847120490 101359.701018 10613593.0000 24999442.0000 47039.0000000 373.000000000 141794.000000 122871.000000 142278.000000 192789.000000 72032.0000000 59603.0000000 68616.0000000 94719.0000000 24138.0000000 20915.0000000 23884.0000000 29836.0000000 39994347.0000 39994347.0000 39994347.0000 39994347.0000 1.02385200000 1.01993400000 1.02668400000 1.03206600000
- 5624.07085600 0.93839240952 100821.832091 10557509.0000 24999424.0000 47008.0000000 374.000000000 140300.000000 122631.000000 141231.000000 192000.000000 71175.0000000 59697.0000000 68839.0000000 94233.0000000 23964.0000000 20832.0000000 23560.0000000 29907.0000000 39994318.0000 39994318.0000 39994318.0000 39994318.0000 1.02360400000 1.01989100000 1.02648200000 1.03192900000
- 5627.03741000 0.93750216635 100804.079214 10564864.0000 24999478.0000 47045.0000000 373.000000000 140058.000000 122831.000000 140784.000000 192185.000000 71271.0000000 59688.0000000 68110.0000000 94440.0000000 23776.0000000 20964.0000000 23722.0000000 29786.0000000 39994405.0000 39994405.0000 39994405.0000 39994405.0000 1.02356500000 1.01992300000 1.02640000000 1.03195700000
- 5630.03128800 0.93424844863 100080.402530 10524285.0000 24999237.0000 46965.0000000 373.000000000 139790.000000 122017.000000 140759.000000 191227.000000 70816.0000000 59513.0000000 68299.0000000 93857.0000000 23857.0000000 20689.0000000 23416.0000000 29589.0000000 39994019.0000 39994019.0000 39994019.0000 39994019.0000 1.02351900000 1.01979100000 1.02639400000 1.03179600000
- 5633.05157800 0.92666004530 99106.8046030 10505134.0000 24999466.0000 47006.0000000 374.000000000 139569.000000 122199.000000 140139.000000 191210.000000 71493.0000000 59525.0000000 68440.0000000 94003.0000000 23354.0000000 20701.0000000 23123.0000000 29427.0000000 39994385.0000 39994385.0000 39994385.0000 39994385.0000 1.02348000000 1.01982000000 1.02627500000 1.03179400000
- 5636.09936700 0.92388391180 97658.0481840 10381482.0000 24999496.0000 47097.0000000 373.000000000 137519.000000 120473.000000 138752.000000 188138.000000 70367.0000000 58845.0000000 67775.0000000 93068.0000000 23028.0000000 20434.0000000 22867.0000000 28899.0000000 39994433.0000 39994433.0000 39994433.0000 39994433.0000 1.02312600000 1.01953400000 1.02600700000 1.03126900000
- 5639.17574500 0.91643801723 96664.9964670 10357288.0000 24999435.0000 47039.0000000 374.000000000 137042.000000 120177.000000 138226.000000 187915.000000 70418.0000000 59057.0000000 67539.0000000 92754.0000000 22916.0000000 20140.0000000 22553.0000000 28657.0000000 39994336.0000 39994336.0000 39994336.0000 39994336.0000 1.02303700000 1.01948000000 1.02590200000 1.03121700000
- 5642.27980400 0.91695689082 97183.9616830 10406428.0000 24999382.0000 47112.0000000 373.000000000 137632.000000 120721.000000 139201.000000 188480.000000 70505.0000000 59455.0000000 68175.0000000 93083.0000000 22882.0000000 19996.0000000 23076.0000000 28805.0000000 39994251.0000 39994251.0000 39994251.0000 39994251.0000 1.02314000000 1.01957000000 1.02608800000 1.03131900000
- 5645.40962600 0.90799091490 96156.4338900 10395589.0000 24999454.0000 47135.0000000 374.000000000 137433.000000 120241.000000 138342.000000 187502.000000 70638.0000000 59022.0000000 67643.0000000 92370.0000000 22656.0000000 20067.0000000 22522.0000000 28524.0000000 39994366.0000 39994366.0000 39994366.0000 39994366.0000 1.02310600000 1.01949400000 1.02592800000 1.03116000000
- 5648.56831200 0.90550878547 96190.7989150 10426606.0000 24999376.0000 46984.0000000 374.000000000 137626.000000 119853.000000 137950.000000 187882.000000 70262.0000000 58684.0000000 67352.0000000 92973.0000000 22934.0000000 19932.0000000 22663.0000000 28275.0000000 39994241.0000 39994241.0000 39994241.0000 39994241.0000 1.02313900000 1.01943200000 1.02585500000 1.03122400000
- 5651.75596100 0.90362717290 94905.9152520 10307672.0000 24999417.0000 46990.0000000 373.000000000 135859.000000 119366.000000 136656.000000 186304.000000 69644.0000000 58422.0000000 67173.0000000 92180.0000000 22380.0000000 19799.0000000 22275.0000000 28117.0000000 39994307.0000 39994307.0000 39994307.0000 39994307.0000 1.02284200000 1.01935000000 1.02560500000 1.03095100000
- 5654.96863600 0.90303623739 94577.1663360 10277867.0000 24999352.0000 47077.0000000 374.000000000 135624.000000 118253.000000 136051.000000 185500.000000 69985.0000000 57756.0000000 66630.0000000 91956.0000000 22375.0000000 20017.0000000 21920.0000000 27952.0000000 39994203.0000 39994203.0000 39994203.0000 39994203.0000 1.02278900000 1.01916500000 1.02548500000 1.03080300000
- 5658.20642100 0.90116490399 94184.5811160 10255368.0000 24999316.0000 47031.0000000 373.000000000 134463.000000 118097.000000 135322.000000 184166.000000 68870.0000000 58241.0000000 66428.0000000 91412.0000000 22233.0000000 19504.0000000 22147.0000000 28007.0000000 39994145.0000 39994145.0000 39994145.0000 39994145.0000 1.02259800000 1.01913800000 1.02534800000 1.03058200000
- 5661.47647800 0.89886325671 93498.1992160 10205514.0000 24999921.0000 47046.0000000 374.000000000 134232.000000 117298.000000 134920.000000 183368.000000 68946.0000000 57701.0000000 65884.0000000 90851.0000000 22113.0000000 19259.0000000 21954.0000000 27903.0000000 39995113.0000 39995113.0000 39995113.0000 39995113.0000 1.02255500000 1.01900900000 1.02526900000 1.03044800000
- 5664.77487100 0.89597906827 92817.1604150 10162476.0000 24998980.0000 47012.0000000 374.000000000 132968.000000 116145.000000 134367.000000 181993.000000 68338.0000000 57119.0000000 65940.0000000 90511.0000000 21886.0000000 19101.0000000 22052.0000000 27543.0000000 39993607.0000 39993607.0000 39993607.0000 39993607.0000 1.02233700000 1.01881700000 1.02516100000 1.03020800000
- 5668.09865600 0.89531909563 91477.0616370 10022284.0000 24999484.0000 47066.0000000 373.000000000 131146.000000 114257.000000 131215.000000 180712.000000 67510.0000000 56298.0000000 64569.0000000 89708.0000000 21755.0000000 18980.0000000 21490.0000000 27082.0000000 39994414.0000 39994414.0000 39994414.0000 39994414.0000 1.02202500000 1.01850800000 1.02456100000 1.02997600000
- 5671.44995200 0.89987789642 90746.3455530 9892078.00000 24999304.0000 47027.0000000 374.000000000 129784.000000 113200.000000 130010.000000 177905.000000 66653.0000000 55533.0000000 63821.0000000 88272.0000000 21410.0000000 19038.0000000 21310.0000000 26861.0000000 39994126.0000 39994126.0000 39994126.0000 39994126.0000 1.02180000000 1.01833800000 1.02433500000 1.02951900000
- 5674.82580700 0.89734617290 90809.3077400 9925638.00000 24999532.0000 46976.0000000 373.000000000 131089.000000 113371.000000 130870.000000 178437.000000 67512.0000000 56189.0000000 64245.0000000 88293.0000000 21684.0000000 18713.0000000 21372.0000000 26900.0000000 39994491.0000 39994491.0000 39994491.0000 39994491.0000 1.02200400000 1.01836000000 1.02449200000 1.02959700000
- 5678.22834100 0.89747235600 90270.1770530 9864632.00000 24999933.0000 47033.0000000 374.000000000 129436.000000 112908.000000 129882.000000 177724.000000 66911.0000000 55703.0000000 63764.0000000 88325.0000000 21225.0000000 18558.0000000 21592.0000000 26780.0000000 39995132.0000 39995132.0000 39995132.0000 39995132.0000 1.02173900000 1.01828900000 1.02430800000 1.02948100000
- 5681.66172200 0.89460584533 88741.5713130 9727365.00000 24998818.0000 47057.0000000 374.000000000 127634.000000 110909.000000 127157.000000 174632.000000 65830.0000000 54622.0000000 62304.0000000 86779.0000000 20931.0000000 18408.0000000 20831.0000000 26529.0000000 39993348.0000 39993348.0000 39993348.0000 39993348.0000 1.02142500000 1.01795800000 1.02378600000 1.02895200000
- 5685.12198100 0.89094198774 89299.4478510 9827281.00000 24999328.0000 46991.0000000 373.000000000 128162.000000 112584.000000 129685.000000 176053.000000 65890.0000000 55875.0000000 63564.0000000 87821.0000000 21184.0000000 18507.0000000 20966.0000000 26565.0000000 39994165.0000 39994165.0000 39994165.0000 39994165.0000 1.02151800000 1.01822900000 1.02426600000 1.02919200000
- 5688.61023700 0.89452094574 88845.8351880 9738252.00000 24999489.0000 46997.0000000 374.000000000 127603.000000 111116.000000 127628.000000 173996.000000 65641.0000000 54760.0000000 62605.0000000 86530.0000000 21001.0000000 18613.0000000 20798.0000000 26392.0000000 39994422.0000 39994422.0000 39994422.0000 39994422.0000 1.02140600000 1.01798600000 1.02387000000 1.02883700000
- 5692.12556700 0.89365342770 88372.8342720 9694902.00000 24999802.0000 47060.0000000 373.000000000 126112.000000 110932.000000 127340.000000 172853.000000 65295.0000000 54825.0000000 62654.0000000 85796.0000000 20910.0000000 18476.0000000 20828.0000000 26140.0000000 39994923.0000 39994923.0000 39994923.0000 39994923.0000 1.02116000000 1.01795300000 1.02381300000 1.02864200000
- 5695.66704600 0.88538199575 88866.0236650 9837585.00000 24999022.0000 47060.0000000 374.000000000 128383.000000 111857.000000 128199.000000 175042.000000 65734.0000000 55155.0000000 62975.0000000 87541.0000000 21121.0000000 18349.0000000 20987.0000000 26354.0000000 39993675.0000 39993675.0000 39993675.0000 39993675.0000 1.02153800000 1.01810800000 1.02397900000 1.02901300000
- 5699.23681800 0.88197647097 87698.0169940 9744292.00000 24999304.0000 47055.0000000 375.000000000 127206.000000 110188.000000 127507.000000 172696.000000 65700.0000000 54584.0000000 62824.0000000 86071.0000000 20909.0000000 18272.0000000 20663.0000000 25849.0000000 39994126.0000 39994126.0000 39994126.0000 39994126.0000 1.02134200000 1.01783900000 1.02384900000 1.02862900000
- 5702.83293600 0.88366382166 87998.2103670 9758578.00000 24999489.0000 47020.0000000 374.000000000 126698.000000 110569.000000 127059.000000 173018.000000 65404.0000000 54635.0000000 62554.0000000 85952.0000000 20944.0000000 18036.0000000 20911.0000000 26094.0000000 39994422.0000 39994422.0000 39994422.0000 39994422.0000 1.02125900000 1.01789800000 1.02376300000 1.02867500000
- 5706.45755100 0.87949465151 86661.3808910 9654236.00000 24999472.0000 46996.0000000 374.000000000 125167.000000 109389.000000 125202.000000 170566.000000 64514.0000000 54396.0000000 61748.0000000 85052.0000000 20536.0000000 17772.0000000 20489.0000000 25907.0000000 39994395.0000 39994395.0000 39994395.0000 39994395.0000 1.02099200000 1.01770100000 1.02340900000 1.02825800000
- 5710.11077000 0.88411903237 86426.9330150 9577983.00000 24999334.0000 47015.0000000 374.000000000 124857.000000 108411.000000 124168.000000 169577.000000 64431.0000000 53356.0000000 60987.0000000 84785.0000000 20393.0000000 17915.0000000 20450.0000000 25730.0000000 39994174.0000 39994174.0000 39994174.0000 39994174.0000 1.02094000000 1.01754500000 1.02321400000 1.02809400000
- 5713.79063800 0.88279080267 87247.7008620 9682432.00000 24999417.0000 46953.0000000 374.000000000 125639.000000 109453.000000 125622.000000 170917.000000 64868.0000000 54038.0000000 61442.0000000 84941.0000000 20786.0000000 18118.0000000 20627.0000000 25744.0000000 39994306.0000 39994306.0000 39994306.0000 39994306.0000 1.02107500000 1.01771500000 1.02349000000 1.02832300000
- 5717.49622100 0.88246716881 86441.3865870 9595628.00000 24999550.0000 47007.0000000 375.000000000 124101.000000 108338.000000 124675.000000 168959.000000 63691.0000000 53535.0000000 61467.0000000 84102.0000000 20576.0000000 18047.0000000 20380.0000000 25505.0000000 39994519.0000 39994519.0000 39994519.0000 39994519.0000 1.02081200000 1.01753000000 1.02330400000 1.02798900000
- 5721.22865100 0.87748924371 83487.3627840 9318481.00000 24999244.0000 46962.0000000 374.000000000 119768.000000 104959.000000 120269.000000 163743.000000 61971.0000000 52078.0000000 59259.0000000 81463.0000000 19684.0000000 17359.0000000 19869.0000000 24768.0000000 39994030.0000 39994030.0000 39994030.0000 39994030.0000 1.02007700000 1.01697400000 1.02246600000 1.02709700000
- 5724.99216900 0.87472863024 82053.0027540 9185953.00000 24999483.0000 46930.0000000 374.000000000 117962.000000 102300.000000 118288.000000 161661.000000 60766.0000000 50565.0000000 58237.0000000 80631.0000000 19453.0000000 17014.0000000 19385.0000000 24453.0000000 39994412.0000 39994412.0000 39994412.0000 39994412.0000 1.01976700000 1.01654200000 1.02208700000 1.02674000000
- 5728.78067400 0.87508660223 84525.0589790 9458127.00000 24999262.0000 46940.0000000 374.000000000 121102.000000 106397.000000 121302.000000 166755.000000 62730.0000000 52377.0000000 59750.0000000 82951.0000000 20007.0000000 17582.0000000 19742.0000000 25338.0000000 39994059.0000 39994059.0000 39994059.0000 39994059.0000 1.02031300000 1.01721300000 1.02266800000 1.02760700000
- 5732.59530100 0.87439608938 83492.1938580 9349001.00000 24999598.0000 47027.0000000 374.000000000 119384.000000 104996.000000 119839.000000 163672.000000 61896.0000000 52090.0000000 59202.0000000 81439.0000000 19712.0000000 17287.0000000 19774.0000000 24914.0000000 39994597.0000 39994597.0000 39994597.0000 39994597.0000 1.02000800000 1.01697800000 1.02238300000 1.02708100000
diff --git a/conversion_examples/MultiElementFluor/V_XANES_ap3_new.001 b/conversion_examples/MultiElementFluor/V_XANES_ap3_new.001
deleted file mode 100644
index 15f0fcd..0000000
--- a/conversion_examples/MultiElementFluor/V_XANES_ap3_new.001
+++ /dev/null
@@ -1,460 +0,0 @@
-# XDI/1.1
-# Column.1: energy eV
-# Column.2: norm
-# Column.3: ifluor
-# Column.4: i0
-# Column.5: tscaler
-# Column.6: i1
-# Column.7: i2
-# Column.8: outputcounts_mca1
-# Column.9: outputcounts_mca2
-# Column.10: outputcounts_mca3
-# Column.11: outputcounts_mca4
-# Column.12: ca_ka_mca1
-# Column.13: ca_ka_mca2
-# Column.14: ca_ka_mca3
-# Column.15: ca_ka_mca4
-# Column.16: v_ka_mca1
-# Column.17: v_ka_mca2
-# Column.18: v_ka_mca3
-# Column.19: v_ka_mca4
-# Column.20: clock_mca1
-# Column.21: clock_mca2
-# Column.22: clock_mca3
-# Column.23: clock_mca4
-# Column.24: dtfactor_mca1
-# Column.25: dtfactor_mca2
-# Column.26: dtfactor_mca3
-# Column.27: dtfactor_mca4
-# Legend.End: here
-# Scan.end_time: 2018-11-27 07:11:09
-# ExtraPVs.Start: Family.Member: Value | PV
-# Beamline.FOE_Slit_HPos: 0.0250 || 13IDA:m5.VAL
-# Beamline.FOE_Slit_HWid: 0.8000 || 13IDA:m6.VAL
-# Beamline.FOE_Slit_VPos: -0.1250 || 13IDA:m7.VAL
-# Beamline.FOE_Slit_VWid: 0.2500 || 13IDA:m8.VAL
-# Beamline.FluxEstimate: 2.201e+12 || 13XRM:ION:FluxOut.VAL
-# Beamline.I0_Sensitivity_Number: 100 || 13IDE:A1sens_num.VAL
-# Beamline.I0_Sensitivity_Unit: nA/V || 13IDE:A1sens_unit.VAL
-# Beamline.I1_Sensitivity_Number: 200 || 13IDE:A2sens_num.VAL
-# Beamline.I1_Sensitivity_Unit: nA/V || 13IDE:A2sens_unit.VAL
-# Beamline.I2_Sensitivity_Number: 20 || 13IDE:A3sens_num.VAL
-# Beamline.I2_Sensitivity_Unit: nA/V || 13IDE:A3sens_unit.VAL
-# Beamline.SSA_Slit_HPos: 0 || 13IDA:m69.VAL
-# Beamline.SSA_Slit_HWid: 0.0500 || 13IDA:m70.VAL
-# Beamline.SSA_Slit_VPos: 0.7500 || 13IDA:m71.VAL
-# Beamline.SSA_Slit_VWid: 0.3000 || 13IDA:m72.VAL
-# DetectorStage.X: 15380.0 || 13IDE:m34.VAL
-# DetectorStage.Y: 291.740 || 13IDE:m4.VAL
-# DetectorStage.Z: 125.0000 || 13IDE:m19.VAL
-# Facility.Ring_Current: 87.0 || S:SRcurrentAI.VAL
-# Facility.Ring_Lifetime: 74.4 || S:SRlifeTimeHrsCC.VAL
-# Monochromator.d_spacing: 3.13477 || 13IDE:En:dspace.VAL
-# Monochromator.height: 24.90000 || 13IDE:En:height.VAL
-# Monochromator.theta_offset: 17.54913 || 13IDA:m65.OFF
-# Monochromator.xtal2_pitch: -0.1160 || 13IDA:m67.VAL
-# Monochromator.xtal2_rol: 1.0400 || 13IDA:m68.VAL
-# Monochromator.xtal2_y: 13.3075 || 13IDA:m66.VAL
-# Monochromator.xtal2_y_off: 11.6000 || 13IDA:m66.OFF
-# SampleStage.CoarseX: 130.7285 || 13XRM:m4.VAL
-# SampleStage.CoarseY: 89.3002 || 13XRM:m5.VAL
-# SampleStage.CoarseZ: 211.0609 || 13XRM:m6.VAL
-# SampleStage.FineX: 0.18404 || 13XRM:m1.VAL
-# SampleStage.FineY: 0.32800 || 13XRM:m2.VAL
-# SampleStage.Theta: 0 || 13XRM:m3.VAL
-# Undulator.Energy: 5.798 || ID13us:Energy.VAL
-# Monochromator.Energy: 5600.00000 || 13IDE:En:Energy.VAL
-# ExtraPVs.End: here
-# ScanParameters.Start: Scan.Member: Value
-# ScanParameters.ScanType: xafs
-# ScanParameters.element: V
-# ScanParameters.edge: K
-# ScanParameters.E0: 5465.000
-# ScanParameters.Legend: Start, Stop, Step, K-space, Time
-# ScanParameters.Region1: -100.000, -10.000, 2.500 False 0.50
-# ScanParameters.Region2: -10.000, 25.008, 0.150 False 0.50
-# ScanParameters.Region3: 2.562, 8.500, 0.060 True 0.50
-# ScanParameters.End: here
-# Process.program: xraylarch
-# Process.version: 0.9.80
-# Process.command: pre_edge(data, nvict=0, pre1=-150, pre2=-50, norm1=150, norm2=750, make_flat=True)
-# Process.step1: using col1..col27 for 27 from arrays in rawdata
-# Process.step2: energy = col1 # column 1: energy (eV)
-# Process.step3: i0 = col4 # column 4: incident beam intensity
-# Process.step4: # fluorescence: sum 4 channels, with deadtime corection from columns in the data
-# Process.step5: ifluor = col16*col24+col17*col25+col18*col26+col19*col27
-# Process.step6: mu = iflour/i0
-# Process.step7: edge_step = 0.010106968
-# Process.step8: pre_edge = -7.792118e-4 + 1.648713e-7*energy
-# Process.step9: intensity = norm = (mu - pre_edge) /edge_step
-# /// Users Comments ///
-#
-#---------------------------------
-# energy norm ifluor i0 tscaler i1 i2 outputcounts_mca1 outputcounts_mca2 outputcounts_mca3 outputcounts_mca4 ca_ka_mca1 ca_ka_mca2 ca_ka_mca3 ca_ka_mca4 v_ka_mca1 v_ka_mca2 v_ka_mca3 v_ka_mca4 clock_mca1 clock_mca2 clock_mca3 clock_mca4 dtfactor_mca1 dtfactor_mca2 dtfactor_mca3 dtfactor_mca4
- 5365.01623500 0.00125969734 1242.05461200 10520784.0000 24999514.0000 47124.0000000 373.000000000 282899.000000 90903.0000000 106254.000000 144971.000000 194529.000000 60317.0000000 69855.0000000 96306.0000000 255.000000000 342.000000000 286.000000000 336.000000000 39994462.0000 39994462.0000 39994462.0000 39994462.0000 1.01737400000 1.01460800000 1.01972700000 1.02376900000
- 5367.50841300 0.00005434644 1100.12348100 10350628.0000 24999316.0000 47135.0000000 374.000000000 104601.000000 89470.0000000 105035.000000 142478.000000 71859.0000000 59274.0000000 68918.0000000 95034.0000000 99.0000000000 371.000000000 301.000000000 309.000000000 39994145.0000 39994145.0000 39994145.0000 39994145.0000 1.01716700000 1.01438000000 1.01950100000 1.02336300000
- 5370.01572200 0.00003337188 1100.20576000 10331825.0000 24999460.0000 47033.0000000 374.000000000 103352.000000 89967.0000000 104835.000000 142197.000000 71220.0000000 59673.0000000 68858.0000000 94466.0000000 95.0000000000 385.000000000 255.000000000 345.000000000 39994376.0000 39994376.0000 39994376.0000 39994376.0000 1.01719200000 1.01445700000 1.01946100000 1.02331600000
- 5372.51742900 -0.00016744846 1099.42775600 10483736.0000 24999447.0000 47000.0000000 374.000000000 103521.000000 90966.0000000 106297.000000 144669.000000 71568.0000000 60076.0000000 70047.0000000 96347.0000000 107.000000000 376.000000000 271.000000000 325.000000000 39994355.0000 39994355.0000 39994355.0000 39994355.0000 1.01747300000 1.01462200000 1.01973800000 1.02372700000
- 5375.01803400 0.00009010378 1123.84459900 10417042.0000 24999448.0000 46980.0000000 374.000000000 105202.000000 90451.0000000 105664.000000 143764.000000 72439.0000000 60140.0000000 69440.0000000 95783.0000000 110.000000000 372.000000000 277.000000000 344.000000000 39994357.0000 39994357.0000 39994357.0000 39994357.0000 1.01722300000 1.01453600000 1.01961700000 1.02357200000
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- 5681.66070300 0.90080879816 72968.0702710 7878239.00000 24999430.0000 47128.0000000 375.000000000 103918.000000 89667.0000000 103370.000000 140366.000000 54061.0000000 44738.0000000 51299.0000000 70348.0000000 17332.0000000 15033.0000000 17417.0000000 21830.0000000 39994327.0000 39994327.0000 39994327.0000 39994327.0000 1.01719900000 1.01447000000 1.01924900000 1.02314200000
- 5685.12096100 0.90048870312 72343.0644460 7813006.00000 24999478.0000 47144.0000000 374.000000000 102897.000000 88651.0000000 102411.000000 138305.000000 53308.0000000 44182.0000000 50772.0000000 69581.0000000 17481.0000000 15064.0000000 17168.0000000 21305.0000000 39994403.0000 39994403.0000 39994403.0000 39994403.0000 1.01698800000 1.01429800000 1.01906200000 1.02278600000
- 5688.60921600 0.88438991376 72255.0889350 7942583.00000 24999484.0000 47105.0000000 374.000000000 101714.000000 90595.0000000 103685.000000 141045.000000 53149.0000000 45516.0000000 51777.0000000 71244.0000000 16751.0000000 15306.0000000 17348.0000000 21503.0000000 39994414.0000 39994414.0000 39994414.0000 39994414.0000 1.01723500000 1.01461300000 1.01930500000 1.02324400000
- 5692.12454400 0.88629553625 72514.4128620 7953743.00000 24999226.0000 47102.0000000 374.000000000 103143.000000 89966.0000000 102964.000000 141226.000000 53819.0000000 44900.0000000 51110.0000000 71024.0000000 17306.0000000 15271.0000000 17015.0000000 21573.0000000 39994001.0000 39994001.0000 39994001.0000 39994001.0000 1.01728000000 1.01451900000 1.01917700000 1.02328600000
- 5695.66602200 0.88743891705 72217.7693810 7910672.00000 24999471.0000 47209.0000000 374.000000000 103375.000000 89692.0000000 102461.000000 139661.000000 53835.0000000 44737.0000000 50913.0000000 70426.0000000 17268.0000000 15054.0000000 17045.0000000 21517.0000000 39994393.0000 39994393.0000 39994393.0000 39994393.0000 1.01711300000 1.01446900000 1.01907700000 1.02301800000
- 5699.23476800 0.87577663060 72301.8885480 8022957.00000 24999376.0000 47229.0000000 374.000000000 102416.000000 90972.0000000 104003.000000 141839.000000 53388.0000000 45328.0000000 51891.0000000 71036.0000000 16805.0000000 15256.0000000 17028.0000000 21856.0000000 39994241.0000 39994241.0000 39994241.0000 39994241.0000 1.01736800000 1.01468000000 1.01937100000 1.02339000000
- 5702.83293600 0.88582031120 72289.1892400 7931682.00000 24999472.0000 47117.0000000 374.000000000 103901.000000 89800.0000000 102733.000000 140239.000000 53979.0000000 44901.0000000 51042.0000000 70700.0000000 17230.0000000 15028.0000000 17043.0000000 21648.0000000 39994395.0000 39994395.0000 39994395.0000 39994395.0000 1.01717900000 1.01448800000 1.01913000000 1.02311700000
- 5706.45755100 0.87882183127 71949.0873000 7955587.00000 24999484.0000 47047.0000000 373.000000000 102804.000000 89128.0000000 103084.000000 140139.000000 53300.0000000 44400.0000000 50919.0000000 70427.0000000 17244.0000000 14853.0000000 17089.0000000 21430.0000000 39994415.0000 39994415.0000 39994415.0000 39994415.0000 1.01719900000 1.01437900000 1.01919300000 1.02309600000
- 5710.10768100 0.87996548225 72012.5696740 7951914.00000 24999328.0000 46950.0000000 374.000000000 102961.000000 89655.0000000 102650.000000 139320.000000 53778.0000000 44809.0000000 51239.0000000 70089.0000000 17069.0000000 15057.0000000 17267.0000000 21291.0000000 39994164.0000 39994164.0000 39994164.0000 39994164.0000 1.01709900000 1.01446300000 1.01911100000 1.02296500000
- 5713.78548300 0.88006380046 72439.2982320 7997622.00000 24999490.0000 47061.0000000 374.000000000 102334.000000 90138.0000000 102851.000000 140828.000000 53023.0000000 44993.0000000 51092.0000000 70875.0000000 17165.0000000 14968.0000000 17135.0000000 21823.0000000 39994423.0000 39994423.0000 39994423.0000 39994423.0000 1.01721800000 1.01454700000 1.01915600000 1.02322200000
- 5717.49312400 0.88508162822 71280.2358780 7825313.00000 24999297.0000 47016.0000000 374.000000000 102984.000000 87412.0000000 100951.000000 136949.000000 53561.0000000 43790.0000000 50270.0000000 68666.0000000 17099.0000000 14605.0000000 17020.0000000 21264.0000000 39994114.0000 39994114.0000 39994114.0000 39994114.0000 1.01677900000 1.01409700000 1.01878800000 1.02255800000
- 5721.23071800 0.88722533422 70340.2308250 7703273.00000 24999424.0000 47008.0000000 374.000000000 100464.000000 86189.0000000 99124.0000000 134511.000000 52058.0000000 43459.0000000 49136.0000000 67964.0000000 16892.0000000 14516.0000000 16802.0000000 20877.0000000 39994318.0000 39994318.0000 39994318.0000 39994318.0000 1.01651700000 1.01389900000 1.01844400000 1.02215700000
- 5724.99216900 0.87260921084 69640.3030280 7751498.00000 24999394.0000 46991.0000000 374.000000000 98907.0000000 85903.0000000 99297.0000000 134305.000000 51517.0000000 42820.0000000 49036.0000000 67604.0000000 16579.0000000 14490.0000000 16774.0000000 20560.0000000 39994270.0000 39994270.0000 39994270.0000 39994270.0000 1.01641400000 1.01385000000 1.01847300000 1.02211200000
- 5728.78067400 0.87457873382 68821.9286780 7642941.00000 24999544.0000 47106.0000000 374.000000000 98296.0000000 84718.0000000 97752.0000000 134173.000000 50896.0000000 42278.0000000 48464.0000000 67371.0000000 16402.0000000 14192.0000000 16384.0000000 20627.0000000 39994511.0000 39994511.0000 39994511.0000 39994511.0000 1.01640800000 1.01366600000 1.01819100000 1.02209800000
- 5732.59737700 0.87381998908 67767.6212370 7531744.00000 24999352.0000 47105.0000000 374.000000000 98231.0000000 84103.0000000 96171.0000000 130648.000000 51221.0000000 42180.0000000 48087.0000000 65891.0000000 16213.0000000 14059.0000000 16145.0000000 20179.0000000 39994203.0000 39994203.0000 39994203.0000 39994203.0000 1.01596800000 1.01354900000 1.01787800000 1.02148800000
diff --git a/conversion_examples/MultiElementFluor/V_XANES_ap4_new.001 b/conversion_examples/MultiElementFluor/V_XANES_ap4_new.001
deleted file mode 100644
index c02e50b..0000000
--- a/conversion_examples/MultiElementFluor/V_XANES_ap4_new.001
+++ /dev/null
@@ -1,460 +0,0 @@
-# XDI/1.1
-# Column.1: energy eV
-# Column.2: norm
-# Column.3: ifluor
-# Column.4: i0
-# Column.5: tscaler
-# Column.6: i1
-# Column.7: i2
-# Column.8: outputcounts_mca1
-# Column.9: outputcounts_mca2
-# Column.10: outputcounts_mca3
-# Column.11: outputcounts_mca4
-# Column.12: ca_ka_mca1
-# Column.13: ca_ka_mca2
-# Column.14: ca_ka_mca3
-# Column.15: ca_ka_mca4
-# Column.16: v_ka_mca1
-# Column.17: v_ka_mca2
-# Column.18: v_ka_mca3
-# Column.19: v_ka_mca4
-# Column.20: clock_mca1
-# Column.21: clock_mca2
-# Column.22: clock_mca3
-# Column.23: clock_mca4
-# Column.24: dtfactor_mca1
-# Column.25: dtfactor_mca2
-# Column.26: dtfactor_mca3
-# Column.27: dtfactor_mca4
-# Legend.End: here
-# Scan.end_time: 2018-11-27 07:14:31
-# ExtraPVs.Start: Family.Member: Value | PV
-# Beamline.FOE_Slit_HPos: 0.0250 || 13IDA:m5.VAL
-# Beamline.FOE_Slit_HWid: 0.8000 || 13IDA:m6.VAL
-# Beamline.FOE_Slit_VPos: -0.1250 || 13IDA:m7.VAL
-# Beamline.FOE_Slit_VWid: 0.2500 || 13IDA:m8.VAL
-# Beamline.FluxEstimate: 2.539e+12 || 13XRM:ION:FluxOut.VAL
-# Beamline.I0_Sensitivity_Number: 100 || 13IDE:A1sens_num.VAL
-# Beamline.I0_Sensitivity_Unit: nA/V || 13IDE:A1sens_unit.VAL
-# Beamline.I1_Sensitivity_Number: 200 || 13IDE:A2sens_num.VAL
-# Beamline.I1_Sensitivity_Unit: nA/V || 13IDE:A2sens_unit.VAL
-# Beamline.I2_Sensitivity_Number: 20 || 13IDE:A3sens_num.VAL
-# Beamline.I2_Sensitivity_Unit: nA/V || 13IDE:A3sens_unit.VAL
-# Beamline.SSA_Slit_HPos: 0 || 13IDA:m69.VAL
-# Beamline.SSA_Slit_HWid: 0.0500 || 13IDA:m70.VAL
-# Beamline.SSA_Slit_VPos: 0.7500 || 13IDA:m71.VAL
-# Beamline.SSA_Slit_VWid: 0.3000 || 13IDA:m72.VAL
-# DetectorStage.X: 15380.0 || 13IDE:m34.VAL
-# DetectorStage.Y: 291.740 || 13IDE:m4.VAL
-# DetectorStage.Z: 125.0000 || 13IDE:m19.VAL
-# Facility.Ring_Current: 86.9 || S:SRcurrentAI.VAL
-# Facility.Ring_Lifetime: 77.4 || S:SRlifeTimeHrsCC.VAL
-# Monochromator.d_spacing: 3.13477 || 13IDE:En:dspace.VAL
-# Monochromator.height: 24.90000 || 13IDE:En:height.VAL
-# Monochromator.theta_offset: 17.54913 || 13IDA:m65.OFF
-# Monochromator.xtal2_pitch: -0.1160 || 13IDA:m67.VAL
-# Monochromator.xtal2_rol: 1.0400 || 13IDA:m68.VAL
-# Monochromator.xtal2_y: 13.3075 || 13IDA:m66.VAL
-# Monochromator.xtal2_y_off: 11.6000 || 13IDA:m66.OFF
-# SampleStage.CoarseX: 130.7285 || 13XRM:m4.VAL
-# SampleStage.CoarseY: 89.3002 || 13XRM:m5.VAL
-# SampleStage.CoarseZ: 211.0609 || 13XRM:m6.VAL
-# SampleStage.FineX: 0.59602 || 13XRM:m1.VAL
-# SampleStage.FineY: 0.39200 || 13XRM:m2.VAL
-# SampleStage.Theta: 0 || 13XRM:m3.VAL
-# Undulator.Energy: 5.771 || ID13us:Energy.VAL
-# Monochromator.Energy: 5599.50000 || 13IDE:En:Energy.VAL
-# ExtraPVs.End: here
-# ScanParameters.Start: Scan.Member: Value
-# ScanParameters.ScanType: xafs
-# ScanParameters.element: V
-# ScanParameters.edge: K
-# ScanParameters.E0: 5465.000
-# ScanParameters.Legend: Start, Stop, Step, K-space, Time
-# ScanParameters.Region1: -100.000, -10.000, 2.500 False 0.50
-# ScanParameters.Region2: -10.000, 25.008, 0.150 False 0.50
-# ScanParameters.Region3: 2.562, 8.500, 0.060 True 0.50
-# ScanParameters.End: here
-# Process.program: xraylarch
-# Process.version: 0.9.80
-# Process.command: pre_edge(data, nvict=0, pre1=-150, pre2=-50, norm1=150, norm2=750, make_flat=True)
-# Process.step1: using col1..col27 for 27 from arrays in rawdata
-# Process.step2: energy = col1 # column 1: energy (eV)
-# Process.step3: i0 = col4 # column 4: incident beam intensity
-# Process.step4: # fluorescence: sum 4 channels, with deadtime corection from columns in the data
-# Process.step5: ifluor = col16*col24+col17*col25+col18*col26+col19*col27
-# Process.step6: mu = iflour/i0
-# Process.step7: edge_step = 0.002455327
-# Process.step8: pre_edge = -1.505726e-4 + 4.773394e-8*energy
-# Process.step9: intensity = norm = (mu - pre_edge) /edge_step
-# /// Users Comments ///
-#
-#---------------------------------
-# energy norm ifluor i0 tscaler i1 i2 outputcounts_mca1 outputcounts_mca2 outputcounts_mca3 outputcounts_mca4 ca_ka_mca1 ca_ka_mca2 ca_ka_mca3 ca_ka_mca4 v_ka_mca1 v_ka_mca2 v_ka_mca3 v_ka_mca4 clock_mca1 clock_mca2 clock_mca3 clock_mca4 dtfactor_mca1 dtfactor_mca2 dtfactor_mca3 dtfactor_mca4
- 5365.01533500 -0.00098337813 1080.09339200 10475539.0000 24999549.0000 47189.0000000 373.000000000 104792.000000 90458.0000000 106036.000000 145026.000000 72294.0000000 59948.0000000 69672.0000000 96629.0000000 100.000000000 359.000000000 283.000000000 318.000000000 39994518.0000 39994518.0000 39994518.0000 39994518.0000 1.01740500000 1.01453900000 1.01968900000 1.02377800000
- 5367.51201900 -0.00078260176 1070.84491400 10324543.0000 24999322.0000 47144.0000000 373.000000000 103083.000000 89354.0000000 104498.000000 143592.000000 71168.0000000 59424.0000000 68912.0000000 95270.0000000 96.0000000000 348.000000000 263.000000000 344.000000000 39994155.0000 39994155.0000 39994155.0000 39994155.0000 1.01712900000 1.01436300000 1.01940200000 1.02354500000
- 5370.01481900 -0.00086003004 1071.67866600 10339624.0000 24999478.0000 47120.0000000 373.000000000 103786.000000 88985.0000000 104405.000000 143948.000000 71389.0000000 58959.0000000 68502.0000000 95690.0000000 108.000000000 369.000000000 245.000000000 330.000000000 39994404.0000 39994404.0000 39994404.0000 39994404.0000 1.01724200000 1.01430500000 1.01938500000 1.02360200000
- 5372.51652500 -0.00087361747 1082.22159500 10432681.0000 24999676.0000 47188.0000000 374.000000000 105018.000000 90521.0000000 105426.000000 146112.000000 72476.0000000 60007.0000000 69311.0000000 97374.0000000 91.0000000000 366.000000000 271.000000000 334.000000000 39994721.0000 39994721.0000 39994721.0000 39994721.0000 1.01744900000 1.01455100000 1.01957600000 1.02396100000
- 5375.01893800 -0.00029453647 1092.37022100 10376342.0000 24999208.0000 47189.0000000 373.000000000 103508.000000 89698.0000000 104837.000000 144953.000000 71596.0000000 59511.0000000 69080.0000000 96083.0000000 92.0000000000 359.000000000 267.000000000 354.000000000 39993972.0000 39993972.0000 39993972.0000 39993972.0000 1.01720500000 1.01441900000 1.01946600000 1.02376700000
- 5377.51753000 -0.00245219389 1036.17548700 10351756.0000 24999400.0000 47200.0000000 373.000000000 103608.000000 88951.0000000 105366.000000 143866.000000 71313.0000000 58959.0000000 69224.0000000 95684.0000000 91.0000000000 340.000000000 267.000000000 319.000000000 39994279.0000 39994279.0000 39994279.0000 39994279.0000 1.01721100000 1.01429900000 1.01956200000 1.02358800000
- 5380.01681600 0.00180176069 1160.64572600 10488324.0000 24999315.0000 47207.0000000 373.000000000 105209.000000 90824.0000000 106513.000000 145990.000000 72538.0000000 60188.0000000 70135.0000000 97559.0000000 91.0000000000 413.000000000 284.000000000 351.000000000 39994143.0000 39994143.0000 39994143.0000 39994143.0000 1.01748500000 1.01460300000 1.01978100000 1.02394800000
- 5382.51951500 0.00165917458 1164.94380600 10549150.0000 24999952.0000 47227.0000000 374.000000000 105659.000000 91570.0000000 107093.000000 146704.000000 72786.0000000 60823.0000000 70437.0000000 97557.0000000 114.000000000 388.000000000 288.000000000 353.000000000 39995162.0000 39995162.0000 39995162.0000 39995162.0000 1.01756600000 1.01472600000 1.01989400000 1.02407400000
- 5385.01927900 0.00206585500 1187.69672900 10647408.0000 24998896.0000 47300.0000000 373.000000000 107419.000000 92416.0000000 108663.000000 148873.000000 74125.0000000 61237.0000000 71257.0000000 99025.0000000 107.000000000 395.000000000 301.000000000 362.000000000 39993472.0000 39993472.0000 39993472.0000 39993472.0000 1.01785000000 1.01485900000 1.02018600000 1.02442400000
- 5387.51972900 0.00019679779 1129.24410100 10545978.0000 24999400.0000 47251.0000000 374.000000000 106087.000000 91416.0000000 107436.000000 148052.000000 73004.0000000 60472.0000000 70519.0000000 98410.0000000 116.000000000 395.000000000 255.000000000 342.000000000 39994279.0000 39994279.0000 39994279.0000 39994279.0000 1.01763000000 1.01469800000 1.01995500000 1.02428300000
- 5390.02086400 0.00126384573 1162.93874600 10589738.0000 24999454.0000 47252.0000000 373.000000000 106640.000000 91600.0000000 107415.000000 147743.000000 73546.0000000 60680.0000000 70699.0000000 98185.0000000 99.0000000000 410.000000000 273.000000000 359.000000000 39994365.0000 39994365.0000 39994365.0000 39994365.0000 1.01771800000 1.01472800000 1.01995200000 1.02423200000
- 5392.51995100 0.00194710058 1182.49711600 10594483.0000 24999315.0000 47187.0000000 374.000000000 106665.000000 91616.0000000 107826.000000 147976.000000 73882.0000000 60765.0000000 71027.0000000 98350.0000000 96.0000000000 393.000000000 302.000000000 369.000000000 39994143.0000 39994143.0000 39994143.0000 39994143.0000 1.01772500000 1.01473100000 1.02002900000 1.02427500000
- 5395.02153600 0.00151342249 1175.36733200 10620564.0000 24999496.0000 47226.0000000 373.000000000 106680.000000 91821.0000000 108132.000000 147582.000000 73521.0000000 60784.0000000 70959.0000000 97768.0000000 110.000000000 383.000000000 295.000000000 365.000000000 39994433.0000 39994433.0000 39994433.0000 39994433.0000 1.01772700000 1.01476400000 1.02008600000 1.02421200000
- 5397.52197500 -0.00086757330 1111.12502000 10587967.0000 24999382.0000 47161.0000000 374.000000000 106503.000000 92057.0000000 107680.000000 147412.000000 73344.0000000 60988.0000000 70908.0000000 97969.0000000 93.0000000000 372.000000000 273.000000000 352.000000000 39994251.0000 39994251.0000 39994251.0000 39994251.0000 1.01769900000 1.01480100000 1.02000100000 1.02418400000
- 5400.02125900 0.00075158994 1149.90722100 10546016.0000 24999442.0000 47114.0000000 373.000000000 106280.000000 91417.0000000 107069.000000 147513.000000 73204.0000000 60525.0000000 70147.0000000 97864.0000000 102.000000000 363.000000000 295.000000000 368.000000000 39994346.0000 39994346.0000 39994346.0000 39994346.0000 1.01766100000 1.01469800000 1.01988700000 1.02419500000
- 5402.52212500 0.00068963276 1150.76296900 10557035.0000 24999316.0000 47212.0000000 374.000000000 106344.000000 91771.0000000 107347.000000 147749.000000 72999.0000000 60950.0000000 70693.0000000 97994.0000000 96.0000000000 398.000000000 279.000000000 356.000000000 39994145.0000 39994145.0000 39994145.0000 39994145.0000 1.01767400000 1.01475700000 1.01994100000 1.02424000000
- 5405.01999600 -0.00033036357 1128.50559500 10584452.0000 24999454.0000 47227.0000000 373.000000000 106572.000000 92280.0000000 107128.000000 147714.000000 73371.0000000 61018.0000000 70311.0000000 98238.0000000 82.0000000000 364.000000000 316.000000000 345.000000000 39994366.0000 39994366.0000 39994366.0000 39994366.0000 1.01771600000 1.01483900000 1.01990200000 1.02423900000
- 5407.52035700 -0.00103669028 1098.55917700 10462043.0000 24999513.0000 47158.0000000 374.000000000 105208.000000 91177.0000000 106153.000000 146341.000000 72618.0000000 60203.0000000 69466.0000000 97380.0000000 110.000000000 361.000000000 285.000000000 322.000000000 39994460.0000 39994460.0000 39994460.0000 39994460.0000 1.01748000000 1.01465600000 1.01971300000 1.02399800000
- 5410.02137800 -0.00335922313 1038.30776500 10443538.0000 24999346.0000 47307.0000000 373.000000000 104531.000000 90449.0000000 105913.000000 145957.000000 72086.0000000 59939.0000000 69530.0000000 96857.0000000 85.0000000000 360.000000000 266.000000000 308.000000000 39994193.0000 39994193.0000 39994193.0000 39994193.0000 1.01736300000 1.01453600000 1.01966300000 1.02392400000
- 5412.51846700 -0.00057122950 1129.36502700 10615759.0000 24999328.0000 47155.0000000 374.000000000 106731.000000 92070.0000000 107522.000000 147800.000000 73293.0000000 61099.0000000 71011.0000000 97881.0000000 95.0000000000 379.000000000 306.000000000 328.000000000 39994163.0000 39994163.0000 39994163.0000 39994163.0000 1.01774300000 1.01480600000 1.01997600000 1.02425400000
- 5415.01987800 0.00059827971 1148.48673800 10500293.0000 24999484.0000 47139.0000000 373.000000000 105071.000000 91009.0000000 106681.000000 146722.000000 72241.0000000 60351.0000000 70109.0000000 97204.0000000 123.000000000 376.000000000 299.000000000 329.000000000 39994414.0000 39994414.0000 39994414.0000 39994414.0000 1.01745800000 1.01462900000 1.01981100000 1.02405900000
- 5417.52010100 -0.00020075407 1134.55372000 10550642.0000 24999418.0000 47226.0000000 374.000000000 105983.000000 91629.0000000 107590.000000 146817.000000 72792.0000000 60772.0000000 71064.0000000 97471.0000000 90.0000000000 370.000000000 295.000000000 358.000000000 39994308.0000 39994308.0000 39994308.0000 39994308.0000 1.01761300000 1.01473200000 1.01998400000 1.02408500000
- 5420.02005000 0.00120022777 1162.70108900 10465988.0000 24999711.0000 47162.0000000 374.000000000 105343.000000 90281.0000000 106301.000000 146209.000000 72579.0000000 59702.0000000 69979.0000000 97051.0000000 95.0000000000 411.000000000 271.000000000 364.000000000 39994776.0000 39994776.0000 39994776.0000 39994776.0000 1.01749700000 1.01451200000 1.01973800000 1.02397100000
- 5422.52156300 -0.00056066903 1119.85554300 10476796.0000 24999010.0000 47234.0000000 373.000000000 105282.000000 90393.0000000 105942.000000 146374.000000 72652.0000000 59885.0000000 69490.0000000 97412.0000000 95.0000000000 390.000000000 279.000000000 335.000000000 39993655.0000 39993655.0000 39993655.0000 39993655.0000 1.01748800000 1.01453000000 1.01967200000 1.02399700000
- 5425.02187500 -0.00186823188 1077.99286800 10385490.0000 24999556.0000 47192.0000000 374.000000000 105027.000000 90470.0000000 105611.000000 145255.000000 72227.0000000 60111.0000000 69512.0000000 96410.0000000 96.0000000000 382.000000000 249.000000000 331.000000000 39994529.0000 39994529.0000 39994529.0000 39994529.0000 1.01743900000 1.01453900000 1.01960800000 1.02381400000
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diff --git a/conversion_examples/MultiElementFluor/V_XANES_ap5_new.001 b/conversion_examples/MultiElementFluor/V_XANES_ap5_new.001
deleted file mode 100644
index 5bbe05f..0000000
--- a/conversion_examples/MultiElementFluor/V_XANES_ap5_new.001
+++ /dev/null
@@ -1,460 +0,0 @@
-# XDI/1.1
-# Column.1: energy eV
-# Column.2: norm
-# Column.3: ifluor
-# Column.4: i0
-# Column.5: tscaler
-# Column.6: i1
-# Column.7: i2
-# Column.8: outputcounts_mca1
-# Column.9: outputcounts_mca2
-# Column.10: outputcounts_mca3
-# Column.11: outputcounts_mca4
-# Column.12: ca_ka_mca1
-# Column.13: ca_ka_mca2
-# Column.14: ca_ka_mca3
-# Column.15: ca_ka_mca4
-# Column.16: v_ka_mca1
-# Column.17: v_ka_mca2
-# Column.18: v_ka_mca3
-# Column.19: v_ka_mca4
-# Column.20: clock_mca1
-# Column.21: clock_mca2
-# Column.22: clock_mca3
-# Column.23: clock_mca4
-# Column.24: dtfactor_mca1
-# Column.25: dtfactor_mca2
-# Column.26: dtfactor_mca3
-# Column.27: dtfactor_mca4
-# Legend.End: here
-# Scan.end_time: 2018-11-27 07:17:52
-# ExtraPVs.Start: Family.Member: Value | PV
-# Beamline.FOE_Slit_HPos: 0.0250 || 13IDA:m5.VAL
-# Beamline.FOE_Slit_HWid: 0.8000 || 13IDA:m6.VAL
-# Beamline.FOE_Slit_VPos: -0.1250 || 13IDA:m7.VAL
-# Beamline.FOE_Slit_VWid: 0.2500 || 13IDA:m8.VAL
-# Beamline.FluxEstimate: 2.626e+12 || 13XRM:ION:FluxOut.VAL
-# Beamline.I0_Sensitivity_Number: 100 || 13IDE:A1sens_num.VAL
-# Beamline.I0_Sensitivity_Unit: nA/V || 13IDE:A1sens_unit.VAL
-# Beamline.I1_Sensitivity_Number: 200 || 13IDE:A2sens_num.VAL
-# Beamline.I1_Sensitivity_Unit: nA/V || 13IDE:A2sens_unit.VAL
-# Beamline.I2_Sensitivity_Number: 20 || 13IDE:A3sens_num.VAL
-# Beamline.I2_Sensitivity_Unit: nA/V || 13IDE:A3sens_unit.VAL
-# Beamline.SSA_Slit_HPos: 0 || 13IDA:m69.VAL
-# Beamline.SSA_Slit_HWid: 0.0500 || 13IDA:m70.VAL
-# Beamline.SSA_Slit_VPos: 0.7500 || 13IDA:m71.VAL
-# Beamline.SSA_Slit_VWid: 0.3000 || 13IDA:m72.VAL
-# DetectorStage.X: 15380.0 || 13IDE:m34.VAL
-# DetectorStage.Y: 291.740 || 13IDE:m4.VAL
-# DetectorStage.Z: 125.0000 || 13IDE:m19.VAL
-# Facility.Ring_Current: 86.9 || S:SRcurrentAI.VAL
-# Facility.Ring_Lifetime: 75.6 || S:SRlifeTimeHrsCC.VAL
-# Monochromator.d_spacing: 3.13477 || 13IDE:En:dspace.VAL
-# Monochromator.height: 24.90000 || 13IDE:En:height.VAL
-# Monochromator.theta_offset: 17.54913 || 13IDA:m65.OFF
-# Monochromator.xtal2_pitch: -0.1160 || 13IDA:m67.VAL
-# Monochromator.xtal2_rol: 1.0400 || 13IDA:m68.VAL
-# Monochromator.xtal2_y: 13.3075 || 13IDA:m66.VAL
-# Monochromator.xtal2_y_off: 11.6000 || 13IDA:m66.OFF
-# SampleStage.CoarseX: 130.7285 || 13XRM:m4.VAL
-# SampleStage.CoarseY: 89.3002 || 13XRM:m5.VAL
-# SampleStage.CoarseZ: 211.0609 || 13XRM:m6.VAL
-# SampleStage.FineX: 0.55201 || 13XRM:m1.VAL
-# SampleStage.FineY: 0.35200 || 13XRM:m2.VAL
-# SampleStage.Theta: 0 || 13XRM:m3.VAL
-# Undulator.Energy: 5.771 || ID13us:Energy.VAL
-# Monochromator.Energy: 5599.50000 || 13IDE:En:Energy.VAL
-# ExtraPVs.End: here
-# ScanParameters.Start: Scan.Member: Value
-# ScanParameters.ScanType: xafs
-# ScanParameters.element: V
-# ScanParameters.edge: K
-# ScanParameters.E0: 5465.000
-# ScanParameters.Legend: Start, Stop, Step, K-space, Time
-# ScanParameters.Region1: -100.000, -10.000, 2.500 False 0.50
-# ScanParameters.Region2: -10.000, 25.008, 0.150 False 0.50
-# ScanParameters.Region3: 2.562, 8.500, 0.060 True 0.50
-# ScanParameters.End: here
-# Process.program: xraylarch
-# Process.version: 0.9.80
-# Process.command: pre_edge(data, nvict=0, pre1=-150, pre2=-50, norm1=150, norm2=750, make_flat=True)
-# Process.step1: using col1..col27 for 27 from arrays in rawdata
-# Process.step2: energy = col1 # column 1: energy (eV)
-# Process.step3: i0 = col4 # column 4: incident beam intensity
-# Process.step4: # fluorescence: sum 4 channels, with deadtime corection from columns in the data
-# Process.step5: ifluor = col16*col24+col17*col25+col18*col26+col19*col27
-# Process.step6: mu = iflour/i0
-# Process.step7: edge_step = 0.002427516
-# Process.step8: pre_edge = -1.500207e-4 + 4.868832e-8*energy
-# Process.step9: intensity = norm = (mu - pre_edge) /edge_step
-# /// Users Comments ///
-#
-#---------------------------------
-# energy norm ifluor i0 tscaler i1 i2 outputcounts_mca1 outputcounts_mca2 outputcounts_mca3 outputcounts_mca4 ca_ka_mca1 ca_ka_mca2 ca_ka_mca3 ca_ka_mca4 v_ka_mca1 v_ka_mca2 v_ka_mca3 v_ka_mca4 clock_mca1 clock_mca2 clock_mca3 clock_mca4 dtfactor_mca1 dtfactor_mca2 dtfactor_mca3 dtfactor_mca4
- 5365.01803700 0.00447887807 1386.89636600 11361893.0000 24999405.0000 46353.0000000 373.000000000 307711.000000 98549.0000000 116163.000000 159003.000000 212154.000000 65354.0000000 76361.0000000 105267.000000 303.000000000 399.000000000 310.000000000 347.000000000 39994287.0000 39994287.0000 39994287.0000 39994287.0000 1.01912500000 1.01586600000 1.02161300000 1.02614100000
- 5367.51292000 0.00112582175 1281.98493200 11240800.0000 24999538.0000 46314.0000000 373.000000000 114905.000000 98303.0000000 114876.000000 156968.000000 79134.0000000 64977.0000000 75479.0000000 104193.000000 105.000000000 417.000000000 345.000000000 389.000000000 39994500.0000 39994500.0000 39994500.0000 39994500.0000 1.01886200000 1.01582200000 1.02136700000 1.02579700000
- 5370.01662400 -0.00220389009 1189.56884800 11213202.0000 24999340.0000 46358.0000000 373.000000000 113343.000000 97711.0000000 114413.000000 155907.000000 78008.0000000 64540.0000000 75429.0000000 103539.000000 101.000000000 436.000000000 301.000000000 328.000000000 39994184.0000 39994184.0000 39994184.0000 39994184.0000 1.01883200000 1.01572600000 1.02128000000 1.02562500000
- 5372.51742900 0.00026930160 1273.83966600 11352088.0000 24999430.0000 46363.0000000 373.000000000 113195.000000 99005.0000000 116184.000000 158212.000000 77749.0000000 65636.0000000 76286.0000000 105099.000000 108.000000000 450.000000000 301.000000000 389.000000000 39994327.0000 39994327.0000 39994327.0000 39994327.0000 1.01900900000 1.01593100000 1.02161100000 1.02599700000
- 5375.01803400 -0.00151842489 1222.94252200 11324177.0000 24999400.0000 46330.0000000 373.000000000 114265.000000 98603.0000000 115227.000000 158682.000000 78856.0000000 65204.0000000 75536.0000000 105042.000000 99.0000000000 395.000000000 338.000000000 366.000000000 39994278.0000 39994278.0000 39994278.0000 39994278.0000 1.01902900000 1.01587100000 1.02143400000 1.02607900000
- 5377.51934000 -0.00112997740 1237.00669200 11342578.0000 24999483.0000 46322.0000000 373.000000000 114371.000000 98694.0000000 115531.000000 158935.000000 79037.0000000 65102.0000000 76067.0000000 105358.000000 87.0000000000 437.000000000 338.000000000 350.000000000 39994411.0000 39994411.0000 39994411.0000 39994411.0000 1.01899600000 1.01589000000 1.02149500000 1.02612800000
- 5380.01772200 -0.00190772741 1230.17213200 11465611.0000 24999286.0000 46325.0000000 373.000000000 114090.000000 100238.000000 116709.000000 159583.000000 78815.0000000 66327.0000000 76805.0000000 106136.000000 119.000000000 413.000000000 316.000000000 357.000000000 39994097.0000 39994097.0000 39994097.0000 39994097.0000 1.01917900000 1.01613400000 1.02171300000 1.02623300000
- 5382.51770100 -0.00032106963 1271.20703200 11424969.0000 24999448.0000 46364.0000000 373.000000000 115247.000000 100194.000000 117053.000000 160194.000000 79297.0000000 66304.0000000 76846.0000000 106302.000000 112.000000000 420.000000000 327.000000000 386.000000000 39994356.0000 39994356.0000 39994356.0000 39994356.0000 1.01920000000 1.01612500000 1.02177600000 1.02633000000
- 5385.01837100 -0.00009719828 1283.40934900 11466087.0000 24999352.0000 46285.0000000 374.000000000 115393.000000 100520.000000 117113.000000 160597.000000 79577.0000000 66386.0000000 76697.0000000 106503.000000 116.000000000 448.000000000 299.000000000 394.000000000 39994202.0000 39994202.0000 39994202.0000 39994202.0000 1.01929700000 1.01618400000 1.02179300000 1.02640700000
- 5387.52063800 -0.00083853680 1277.45750100 11586589.0000 24999532.0000 46320.0000000 373.000000000 115926.000000 101152.000000 117858.000000 162143.000000 79797.0000000 66722.0000000 77367.0000000 107034.000000 115.000000000 438.000000000 324.000000000 374.000000000 39994490.0000 39994490.0000 39994490.0000 39994490.0000 1.01952700000 1.01628600000 1.02193300000 1.02666400000
- 5390.02268300 0.00113477313 1338.03943200 11618438.0000 24999388.0000 46273.0000000 373.000000000 117320.000000 101319.000000 118710.000000 162253.000000 80600.0000000 66553.0000000 77855.0000000 107376.000000 129.000000000 427.000000000 341.000000000 413.000000000 39994260.0000 39994260.0000 39994260.0000 39994260.0000 1.01953800000 1.01631300000 1.02209300000 1.02668200000
- 5392.52268300 0.00037757561 1323.51894700 11666224.0000 24999292.0000 46346.0000000 373.000000000 117384.000000 101610.000000 119747.000000 163508.000000 80969.0000000 66815.0000000 78573.0000000 108442.000000 107.000000000 473.000000000 341.000000000 375.000000000 39994106.0000 39994106.0000 39994106.0000 39994106.0000 1.01959800000 1.01636100000 1.02228800000 1.02688800000
- 5395.02153600 -0.00104979139 1277.62144100 11603612.0000 24999429.0000 46360.0000000 373.000000000 117711.000000 101924.000000 118519.000000 162626.000000 81160.0000000 66933.0000000 77938.0000000 107565.000000 97.0000000000 455.000000000 306.000000000 393.000000000 39994325.0000 39994325.0000 39994325.0000 39994325.0000 1.01952200000 1.01640900000 1.02205800000 1.02674800000
- 5397.52106300 0.00056118377 1324.84528200 11607413.0000 24999418.0000 46376.0000000 374.000000000 117270.000000 101247.000000 119136.000000 162707.000000 80597.0000000 67109.0000000 78016.0000000 107473.000000 114.000000000 426.000000000 349.000000000 408.000000000 39994308.0000 39994308.0000 39994308.0000 39994308.0000 1.01963400000 1.01630600000 1.02217800000 1.02676600000
- 5400.01943300 -0.00027833989 1310.51702700 11677945.0000 25000048.0000 46343.0000000 373.000000000 117920.000000 102206.000000 119632.000000 163236.000000 80953.0000000 67326.0000000 78267.0000000 108287.000000 111.000000000 437.000000000 348.000000000 387.000000000 39995316.0000 39995316.0000 39995316.0000 39995316.0000 1.01971800000 1.01645400000 1.02226700000 1.02684500000
- 5402.52029600 0.00050857759 1319.13243900 11545657.0000 24998722.0000 46259.0000000 373.000000000 118493.000000 100821.000000 118293.000000 161513.000000 81488.0000000 66757.0000000 77704.0000000 107214.000000 121.000000000 458.000000000 348.000000000 365.000000000 39993194.0000 39993194.0000 39993194.0000 39993194.0000 1.01940400000 1.01622900000 1.02201100000 1.02655300000
- 5405.02274100 0.00062128553 1318.31585800 11498712.0000 24999466.0000 46273.0000000 373.000000000 116601.000000 100680.000000 117764.000000 161162.000000 80167.0000000 66662.0000000 77048.0000000 106887.000000 115.000000000 431.000000000 357.000000000 388.000000000 39994385.0000 39994385.0000 39994385.0000 39994385.0000 1.01933400000 1.01620900000 1.02191700000 1.02650000000
- 5407.52127300 0.00061132979 1317.06186300 11478015.0000 24999459.0000 46265.0000000 373.000000000 116126.000000 100198.000000 116999.000000 161063.000000 79943.0000000 66221.0000000 76595.0000000 106414.000000 105.000000000 468.000000000 317.000000000 400.000000000 39994374.0000 39994374.0000 39994374.0000 39994374.0000 1.01926700000 1.01612900000 1.02176800000 1.02647500000
- 5410.02137800 -0.00015759839 1298.91095900 11494622.0000 24999376.0000 46255.0000000 373.000000000 115774.000000 100415.000000 118080.000000 160881.000000 79871.0000000 66558.0000000 77520.0000000 106656.000000 113.000000000 435.000000000 328.000000000 396.000000000 39994240.0000 39994240.0000 39994240.0000 39994240.0000 1.01937700000 1.01617000000 1.02197700000 1.02646200000
- 5412.52213800 -0.00035625479 1300.97780400 11549757.0000 24999466.0000 46237.0000000 373.000000000 116380.000000 101514.000000 118133.000000 161909.000000 80196.0000000 66882.0000000 77653.0000000 107127.000000 111.000000000 453.000000000 317.000000000 393.000000000 39994384.0000 39994384.0000 39994384.0000 39994384.0000 1.01937100000 1.01633700000 1.02198000000 1.02661400000
- 5415.02171500 -0.00153430561 1265.11826000 11511215.0000 24999303.0000 46312.0000000 373.000000000 116390.000000 100240.000000 118178.000000 160724.000000 80000.0000000 66463.0000000 77313.0000000 106375.000000 128.000000000 425.000000000 304.000000000 382.000000000 39994124.0000 39994124.0000 39994124.0000 39994124.0000 1.01936900000 1.01613800000 1.02199100000 1.02642700000
- 5417.52286000 -0.00044961413 1304.21345500 11576751.0000 24999640.0000 46279.0000000 373.000000000 116378.000000 101678.000000 119100.000000 162190.000000 80267.0000000 67151.0000000 78109.0000000 107299.000000 98.0000000000 462.000000000 307.000000000 410.000000000 39994663.0000 39994663.0000 39994663.0000 39994663.0000 1.01948700000 1.01637000000 1.02216700000 1.02667200000
- 5420.02373200 0.00043573667 1327.86061500 11553752.0000 24999226.0000 46293.0000000 373.000000000 117060.000000 100598.000000 118539.000000 162207.000000 80388.0000000 66344.0000000 77955.0000000 107496.000000 138.000000000 418.000000000 319.000000000 425.000000000 39994001.0000 39994001.0000 39994001.0000 39994001.0000 1.01963700000 1.01620100000 1.02206400000 1.02668300000
- 5422.52064200 -0.00086071968 1304.58430400 11658134.0000 24999388.0000 46250.0000000 373.000000000 117988.000000 102043.000000 119417.000000 163122.000000 81240.0000000 67620.0000000 78198.0000000 107796.000000 126.000000000 401.000000000 346.000000000 404.000000000 39994260.0000 39994260.0000 39994260.0000 39994260.0000 1.01959300000 1.01642800000 1.02222500000 1.02682700000
- 5425.02003000 0.00257898487 1404.35533700 11666505.0000 24999538.0000 46226.0000000 374.000000000 117708.000000 102426.000000 120324.000000 162815.000000 80596.0000000 67527.0000000 78780.0000000 107952.000000 116.000000000 491.000000000 364.000000000 404.000000000 39994500.0000 39994500.0000 39994500.0000 39994500.0000 1.01964800000 1.01649500000 1.02240100000 1.02679000000
- 5427.52190000 -0.00166445909 1288.18598700 11689977.0000 24999375.0000 46230.0000000 373.000000000 117991.000000 102157.000000 119624.000000 163689.000000 81263.0000000 67635.0000000 78108.0000000 108711.000000 111.000000000 431.000000000 311.000000000 408.000000000 39994239.0000 39994239.0000 39994239.0000 39994239.0000 1.01970500000 1.01644900000 1.02226700000 1.02692200000
- 5430.02163400 -0.00026270030 1321.85663400 11623756.0000 24999328.0000 46238.0000000 373.000000000 118385.000000 101829.000000 119176.000000 163173.000000 81442.0000000 67206.0000000 78250.0000000 107987.000000 99.0000000000 426.000000000 368.000000000 401.000000000 39994164.0000 39994164.0000 39994164.0000 39994164.0000 1.01960200000 1.01639900000 1.02218700000 1.02684600000
- 5432.52107300 0.00184369299 1369.50613200 11512783.0000 24999832.0000 46246.0000000 373.000000000 117694.000000 100900.000000 118491.000000 161497.000000 81150.0000000 66513.0000000 77698.0000000 106821.000000 131.000000000 440.000000000 364.000000000 406.000000000 39994970.0000 39994970.0000 39994970.0000 39994970.0000 1.01944400000 1.01624700000 1.02205200000 1.02656000000
- 5435.02113700 -0.00090046168 1292.92032800 11501263.0000 24998956.0000 46201.0000000 373.000000000 116804.000000 101135.000000 118469.000000 162210.000000 80760.0000000 66931.0000000 77427.0000000 107138.000000 111.000000000 430.000000000 341.000000000 384.000000000 39993569.0000 39993569.0000 39993569.0000 39993569.0000 1.01939800000 1.01628600000 1.02205000000 1.02668000000
- 5437.52275300 0.00022034868 1330.74861600 11545815.0000 24999537.0000 46334.0000000 373.000000000 116471.000000 101036.000000 118345.000000 162108.000000 80331.0000000 66480.0000000 77424.0000000 107480.000000 123.000000000 449.000000000 312.000000000 419.000000000 39994499.0000 39994499.0000 39994499.0000 39994499.0000 1.01950200000 1.01627000000 1.02202700000 1.02666400000
- 5440.02313700 -0.00271435792 1243.80636600 11489514.0000 24999316.0000 46269.0000000 373.000000000 117129.000000 100672.000000 117006.000000 160879.000000 80431.0000000 66485.0000000 76668.0000000 106354.000000 110.000000000 408.000000000 308.000000000 392.000000000 39994145.0000 39994145.0000 39994145.0000 39994145.0000 1.01934500000 1.01620100000 1.02176600000 1.02644000000
- 5442.52413900 0.00052389697 1317.68034300 11336009.0000 24999352.0000 46331.0000000 373.000000000 116297.000000 99506.0000000 116246.000000 159953.000000 79963.0000000 65753.0000000 76321.0000000 105955.000000 111.000000000 485.000000000 317.000000000 378.000000000 39994203.0000 39994203.0000 39994203.0000 39994203.0000 1.01912000000 1.01601400000 1.02162500000 1.02628600000
- 5445.02389800 -0.00021618881 1299.43143700 11342445.0000 24999466.0000 46332.0000000 373.000000000 114915.000000 99504.0000000 115791.000000 158441.000000 79046.0000000 65603.0000000 76081.0000000 105230.000000 135.000000000 435.000000000 319.000000000 384.000000000 39994385.0000 39994385.0000 39994385.0000 39994385.0000 1.01917500000 1.01601700000 1.02154300000 1.02605000000
- 5447.52426700 -0.00050151974 1288.37630400 11302270.0000 24999472.0000 46275.0000000 373.000000000 115236.000000 98787.0000000 115672.000000 158247.000000 79387.0000000 65046.0000000 75797.0000000 104789.000000 118.000000000 400.000000000 352.000000000 392.000000000 39994395.0000 39994395.0000 39994395.0000 39994395.0000 1.01904400000 1.01589900000 1.02151700000 1.02600900000
- 5450.02338300 0.00089510556 1309.36086300 11143050.0000 24999387.0000 46241.0000000 373.000000000 114460.000000 97675.0000000 114390.000000 156407.000000 78718.0000000 64619.0000000 75121.0000000 103898.000000 124.000000000 417.000000000 360.000000000 382.000000000 39994258.0000 39994258.0000 39994258.0000 39994258.0000 1.01881500000 1.01571700000 1.02127100000 1.02569700000
- 5452.37577100 0.00292482510 1379.02761300 11253104.0000 24999754.0000 46241.0000000 373.000000000 113121.000000 98077.0000000 114840.000000 157599.000000 78045.0000000 64635.0000000 75146.0000000 104432.000000 122.000000000 446.000000000 353.000000000 430.000000000 39994845.0000 39994845.0000 39994845.0000 39994845.0000 1.01893500000 1.01578500000 1.02136100000 1.02590000000
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- 5455.02715400 0.00364050277 1404.76405600 11291151.0000 24999478.0000 46209.0000000 373.000000000 114914.000000 98615.0000000 115243.000000 157792.000000 78776.0000000 65422.0000000 75439.0000000 104464.000000 116.000000000 437.000000000 380.000000000 443.000000000 39994404.0000 39994404.0000 39994404.0000 39994404.0000 1.01893600000 1.01587000000 1.02143500000 1.02593000000
- 5455.32773200 0.00469062955 1446.72348300 11393617.0000 24999423.0000 46201.0000000 373.000000000 113815.000000 99963.0000000 117429.000000 158461.000000 78334.0000000 65901.0000000 76917.0000000 104795.000000 142.000000000 469.000000000 367.000000000 439.000000000 39994316.0000 39994316.0000 39994316.0000 39994316.0000 1.01918600000 1.01608800000 1.02184700000 1.02605000000
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- 5455.62927900 0.00397659744 1441.91285700 11511541.0000 24999382.0000 46595.0000000 373.000000000 115602.000000 100685.000000 117919.000000 161013.000000 79732.0000000 66446.0000000 77013.0000000 106571.000000 155.000000000 467.000000000 350.000000000 440.000000000 39994250.0000 39994250.0000 39994250.0000 39994250.0000 1.01942400000 1.01621100000 1.02194400000 1.02648000000
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- 5456.07746500 0.00488388986 1484.53073700 11644994.0000 24999400.0000 46591.0000000 373.000000000 117920.000000 101577.000000 119845.000000 162993.000000 81277.0000000 66755.0000000 78543.0000000 107322.000000 165.000000000 436.000000000 375.000000000 477.000000000 39994279.0000 39994279.0000 39994279.0000 39994279.0000 1.01965500000 1.01635800000 1.02231000000 1.02681200000
- 5456.22781200 0.00173753166 1396.98666400 11655951.0000 24999742.0000 46635.0000000 373.000000000 118055.000000 101398.000000 118600.000000 163231.000000 81197.0000000 66553.0000000 77239.0000000 108076.000000 157.000000000 455.000000000 380.000000000 376.000000000 39994826.0000 39994826.0000 39994826.0000 39994826.0000 1.01959500000 1.01632700000 1.02207400000 1.02684400000
- 5456.37910200 0.00155532750 1390.20712500 11641632.0000 24999111.0000 46642.0000000 373.000000000 117723.000000 102028.000000 119249.000000 162955.000000 80741.0000000 67250.0000000 78064.0000000 108329.000000 138.000000000 451.000000000 348.000000000 424.000000000 39993817.0000 39993817.0000 39993817.0000 39993817.0000 1.01961900000 1.01642900000 1.02219800000 1.02680500000
- 5456.53040000 0.00142967564 1386.99863200 11643787.0000 24999334.0000 46671.0000000 373.000000000 117827.000000 102231.000000 118769.000000 162991.000000 80532.0000000 67461.0000000 77837.0000000 107644.000000 148.000000000 443.000000000 371.000000000 396.000000000 39994174.0000 39994174.0000 39994174.0000 39994174.0000 1.01950000000 1.01646200000 1.02211000000 1.02681100000
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- 5630.02829100 0.92557533704 25309.9197200 10675036.0000 24999310.0000 46860.0000000 372.000000000 115867.000000 100522.000000 117365.000000 160125.000000 73715.0000000 61217.0000000 71168.0000000 97900.0000000 5883.00000000 5216.00000000 6046.00000000 7633.00000000 39994135.0000 39994135.0000 39994135.0000 39994135.0000 1.01935200000 1.01620700000 1.02186200000 1.02638000000
- 5633.05257800 0.92763297446 25154.9140720 10586698.0000 24999442.0000 46876.0000000 373.000000000 116021.000000 100024.000000 115413.000000 159040.000000 73786.0000000 61326.0000000 69843.0000000 97181.0000000 5822.00000000 5280.00000000 6013.00000000 7517.00000000 39994347.0000 39994347.0000 39994347.0000 39994347.0000 1.01918500000 1.01612100000 1.02149300000 1.02618900000
- 5636.10337100 0.92478545825 25049.4495830 10572408.0000 24999615.0000 46915.0000000 372.000000000 115050.000000 99069.0000000 115759.000000 158042.000000 73073.0000000 60455.0000000 70170.0000000 96305.0000000 5809.00000000 5318.00000000 5894.00000000 7510.00000000 39994623.0000 39994623.0000 39994623.0000 39994623.0000 1.01913100000 1.01596400000 1.02155300000 1.02601700000
- 5639.17875200 0.91298852745 24740.4590810 10569072.0000 24999172.0000 46841.0000000 372.000000000 114787.000000 100048.000000 115913.000000 159428.000000 73259.0000000 61013.0000000 70236.0000000 97598.0000000 5656.00000000 5312.00000000 5966.00000000 7291.00000000 39993915.0000 39993915.0000 39993915.0000 39993915.0000 1.01935100000 1.01613100000 1.02159300000 1.02626500000
- 5642.28181100 0.90705776302 24647.1942760 10593701.0000 24999400.0000 46846.0000000 372.000000000 116006.000000 100294.000000 114795.000000 158568.000000 73891.0000000 61328.0000000 69578.0000000 97334.0000000 5615.00000000 5246.00000000 5764.00000000 7510.00000000 39994279.0000 39994279.0000 39994279.0000 39994279.0000 1.01924800000 1.01616300000 1.02137700000 1.02611300000
- 5645.41163500 0.91394045703 24621.2515070 10506413.0000 24999352.0000 46817.0000000 373.000000000 115450.000000 98615.0000000 115430.000000 157481.000000 73328.0000000 60465.0000000 69633.0000000 96655.0000000 5852.00000000 5230.00000000 5813.00000000 7220.00000000 39994202.0000 39994202.0000 39994202.0000 39994202.0000 1.01896900000 1.01589300000 1.02149300000 1.02592600000
- 5648.57032400 0.91436439584 24472.2071310 10437544.0000 24999550.0000 46906.0000000 372.000000000 113762.000000 98022.0000000 114167.000000 155932.000000 72554.0000000 59748.0000000 69521.0000000 95668.0000000 5593.00000000 5209.00000000 5871.00000000 7299.00000000 39994519.0000 39994519.0000 39994519.0000 39994519.0000 1.01890200000 1.01579700000 1.02125700000 1.02567500000
- 5651.75797500 0.90795197254 24261.5687600 10416170.0000 24999333.0000 46824.0000000 372.000000000 113374.000000 98035.0000000 113788.000000 156059.000000 72258.0000000 59802.0000000 69301.0000000 95924.0000000 5581.00000000 5088.00000000 5741.00000000 7356.00000000 39994172.0000 39994172.0000 39994172.0000 39994172.0000 1.01874400000 1.01579800000 1.02118400000 1.02568800000
- 5654.97065200 0.90273587130 23852.0544600 10295632.0000 24999730.0000 46872.0000000 373.000000000 112397.000000 96574.0000000 112389.000000 153431.000000 71756.0000000 58725.0000000 68347.0000000 93927.0000000 5498.00000000 5073.00000000 5608.00000000 7193.00000000 39994807.0000 39994807.0000 39994807.0000 39994807.0000 1.01859600000 1.01555700000 1.02091500000 1.02524700000
- 5658.21046000 0.89290030749 23587.4593350 10286735.0000 24999046.0000 46913.0000000 372.000000000 111606.000000 96366.0000000 111345.000000 153253.000000 71256.0000000 58712.0000000 67959.0000000 94163.0000000 5463.00000000 4894.00000000 5559.00000000 7197.00000000 39993712.0000 39993712.0000 39993712.0000 39993712.0000 1.01861900000 1.01552700000 1.02072500000 1.02522500000
- 5661.47748900 0.89270240186 23592.4852490 10290369.0000 24999550.0000 46802.0000000 373.000000000 111720.000000 96117.0000000 111663.000000 152735.000000 71165.0000000 58828.0000000 67890.0000000 93780.0000000 5487.00000000 4898.00000000 5702.00000000 7033.00000000 39994518.0000 39994518.0000 39994518.0000 39994518.0000 1.01848200000 1.01548400000 1.02078000000 1.02513100000
- 5664.77183400 0.88170413387 23330.9854540 10295482.0000 24999334.0000 46822.0000000 373.000000000 110906.000000 95962.0000000 112284.000000 153568.000000 70731.0000000 58600.0000000 68373.0000000 94426.0000000 5344.00000000 4821.00000000 5656.00000000 7040.00000000 39994174.0000 39994174.0000 39994174.0000 39994174.0000 1.01859100000 1.01546200000 1.02089800000 1.02526900000
- 5668.09663000 0.90359272901 23717.7887760 10225675.0000 24999616.0000 46901.0000000 372.000000000 111553.000000 95634.0000000 111249.000000 152161.000000 71405.0000000 58306.0000000 67596.0000000 93623.0000000 5509.00000000 5119.00000000 5583.00000000 7035.00000000 39994625.0000 39994625.0000 39994625.0000 39994625.0000 1.01839400000 1.01540200000 1.02069900000 1.02502500000
- 5671.44690900 0.89477898293 23100.2987990 10051463.0000 24999225.0000 46797.0000000 373.000000000 110420.000000 94478.0000000 109163.000000 149327.000000 70054.0000000 57936.0000000 66864.0000000 91879.0000000 5357.00000000 4993.00000000 5369.00000000 6929.00000000 39993999.0000 39993999.0000 39993999.0000 39993999.0000 1.01811900000 1.01521700000 1.02030900000 1.02456600000
- 5674.82479100 0.89942963565 22901.6359570 9915602.00000 24999418.0000 46788.0000000 373.000000000 108747.000000 92304.0000000 107084.000000 147316.000000 69223.0000000 56527.0000000 64818.0000000 90560.0000000 5384.00000000 4862.00000000 5496.00000000 6719.00000000 39994308.0000 39994308.0000 39994308.0000 39994308.0000 1.01788300000 1.01486000000 1.01991100000 1.02421100000
- 5678.23037500 0.89812912553 23127.5157590 10026385.0000 24999460.0000 46834.0000000 372.000000000 107426.000000 93723.0000000 108835.000000 149121.000000 68575.0000000 57214.0000000 66013.0000000 91668.0000000 5323.00000000 4909.00000000 5474.00000000 6970.00000000 39994375.0000 39994375.0000 39994375.0000 39994375.0000 1.01797600000 1.01509300000 1.02024600000 1.02452100000
- 5681.66172200 0.89698994346 22784.6179490 9888869.00000 24999652.0000 46812.0000000 373.000000000 107899.000000 92262.0000000 107449.000000 146411.000000 68538.0000000 56480.0000000 65578.0000000 90037.0000000 5476.00000000 4812.00000000 5375.00000000 6685.00000000 39994683.0000 39994683.0000 39994683.0000 39994683.0000 1.01770200000 1.01485100000 1.01997600000 1.02406100000
- 5685.12198100 0.90391672354 22870.5752060 9853545.00000 24999081.0000 46863.0000000 372.000000000 106322.000000 91576.0000000 106519.000000 146229.000000 67879.0000000 56205.0000000 64737.0000000 89589.0000000 5325.00000000 4711.00000000 5479.00000000 6917.00000000 39993768.0000 39993768.0000 39993768.0000 39993768.0000 1.01772100000 1.01474400000 1.01980700000 1.02403200000
- 5688.60921600 0.88554967739 22827.4672120 10026850.0000 24999508.0000 46819.0000000 372.000000000 106429.000000 93272.0000000 108157.000000 148266.000000 68084.0000000 57125.0000000 65924.0000000 91195.0000000 5281.00000000 4791.00000000 5470.00000000 6842.00000000 39994451.0000 39994451.0000 39994451.0000 39994451.0000 1.01793600000 1.01501800000 1.02011500000 1.02437400000
- 5692.12454400 0.86953293526 22431.7461470 10023461.0000 24999298.0000 46826.0000000 373.000000000 107712.000000 93149.0000000 107921.000000 149099.000000 68968.0000000 57191.0000000 65804.0000000 91381.0000000 5095.00000000 4691.00000000 5394.00000000 6815.00000000 39994115.0000 39994115.0000 39994115.0000 39994115.0000 1.01789800000 1.01499500000 1.02006800000 1.02450000000
- 5695.66602200 0.87765614513 22671.2755340 10041242.0000 24999760.0000 46860.0000000 372.000000000 107493.000000 92608.0000000 107924.000000 147662.000000 68591.0000000 56597.0000000 65624.0000000 90476.0000000 5289.00000000 4709.00000000 5361.00000000 6873.00000000 39994855.0000 39994855.0000 39994855.0000 39994855.0000 1.01788500000 1.01491300000 1.02007100000 1.02427700000
- 5699.23476800 0.88769915205 22466.9415490 9843693.00000 24999088.0000 46920.0000000 373.000000000 107380.000000 91583.0000000 105464.000000 144896.000000 68463.0000000 56125.0000000 64305.0000000 89184.0000000 5328.00000000 4743.00000000 5345.00000000 6625.00000000 39993780.0000 39993780.0000 39993780.0000 39993780.0000 1.01756000000 1.01473800000 1.01960300000 1.02380400000
- 5702.83293600 0.88146261114 22447.9836160 9900297.00000 24999501.0000 46899.0000000 372.000000000 105523.000000 91476.0000000 106347.000000 145376.000000 67444.0000000 56180.0000000 64863.0000000 89460.0000000 5233.00000000 4713.00000000 5357.00000000 6717.00000000 39994441.0000 39994441.0000 39994441.0000 39994441.0000 1.01760400000 1.01472900000 1.01977500000 1.02389600000
- 5706.45857900 0.87263269166 22344.5383710 9947942.00000 24999256.0000 46871.0000000 373.000000000 105697.000000 92430.0000000 106912.000000 146829.000000 67388.0000000 56629.0000000 65073.0000000 90345.0000000 5230.00000000 4697.00000000 5276.00000000 6712.00000000 39994049.0000 39994049.0000 39994049.0000 39994049.0000 1.01775300000 1.01487700000 1.01987600000 1.02412800000
- 5710.11077000 0.87819099407 22480.5855350 9947965.00000 24999454.0000 46955.0000000 372.000000000 106659.000000 91967.0000000 106489.000000 145795.000000 68133.0000000 56231.0000000 64623.0000000 89905.0000000 5263.00000000 4703.00000000 5287.00000000 6797.00000000 39994366.0000 39994366.0000 39994366.0000 39994366.0000 1.01773700000 1.01480700000 1.01980100000 1.02396800000
- 5713.78857600 0.86947209403 22257.6079190 9941619.00000 24999394.0000 46883.0000000 372.000000000 106522.000000 92205.0000000 106338.000000 145709.000000 67881.0000000 56613.0000000 64804.0000000 89301.0000000 5132.00000000 4610.00000000 5373.00000000 6716.00000000 39994270.0000 39994270.0000 39994270.0000 39994270.0000 1.01774300000 1.01484500000 1.01977300000 1.02395400000
- 5717.49312400 0.88273545613 22350.7899490 9840923.00000 24999483.0000 46880.0000000 373.000000000 106554.000000 90957.0000000 105122.000000 144113.000000 68094.0000000 55774.0000000 64019.0000000 88346.0000000 5301.00000000 4706.00000000 5286.00000000 6636.00000000 39994412.0000 39994412.0000 39994412.0000 39994412.0000 1.01745300000 1.01463800000 1.01953800000 1.02367500000
- 5721.22865100 0.87598839233 21966.1821390 9741049.00000 24999346.0000 46853.0000000 372.000000000 104873.000000 88835.0000000 102938.000000 142115.000000 66955.0000000 54298.0000000 62774.0000000 87628.0000000 5097.00000000 4679.00000000 5188.00000000 6595.00000000 39994192.0000 39994192.0000 39994192.0000 39994192.0000 1.01709200000 1.01429700000 1.01912900000 1.02334000000
- 5724.99009800 0.87398918495 22117.7091860 9828599.00000 24999430.0000 46926.0000000 372.000000000 102680.000000 90174.0000000 104980.000000 144102.000000 65873.0000000 55243.0000000 63809.0000000 88109.0000000 5036.00000000 4603.00000000 5307.00000000 6754.00000000 39994328.0000 39994328.0000 39994328.0000 39994328.0000 1.01738100000 1.01451200000 1.01951000000 1.02366600000
- 5728.77860100 0.87987639990 21882.4337380 9661896.00000 24999334.0000 46968.0000000 373.000000000 104447.000000 88071.0000000 102420.000000 140586.000000 66666.0000000 54209.0000000 62369.0000000 86235.0000000 5134.00000000 4582.00000000 5202.00000000 6562.00000000 39994173.0000 39994173.0000 39994173.0000 39994173.0000 1.01695200000 1.01417200000 1.01902900000 1.02308400000
- 5732.59737700 0.87565348527 21562.7957290 9563265.00000 24999592.0000 46834.0000000 372.000000000 101864.000000 87732.0000000 100920.000000 138642.000000 64871.0000000 53662.0000000 61771.0000000 85433.0000000 5051.00000000 4647.00000000 5078.00000000 6395.00000000 39994587.0000 39994587.0000 39994587.0000 39994587.0000 1.01691000000 1.01411500000 1.01874800000 1.02276600000
diff --git a/conversion_examples/MultiElementFluor/V_XANES_ap6_new.001 b/conversion_examples/MultiElementFluor/V_XANES_ap6_new.001
deleted file mode 100644
index 2a101b6..0000000
--- a/conversion_examples/MultiElementFluor/V_XANES_ap6_new.001
+++ /dev/null
@@ -1,460 +0,0 @@
-# XDI/1.1
-# Column.1: energy eV
-# Column.2: norm
-# Column.3: ifluor
-# Column.4: i0
-# Column.5: tscaler
-# Column.6: i1
-# Column.7: i2
-# Column.8: outputcounts_mca1
-# Column.9: outputcounts_mca2
-# Column.10: outputcounts_mca3
-# Column.11: outputcounts_mca4
-# Column.12: ca_ka_mca1
-# Column.13: ca_ka_mca2
-# Column.14: ca_ka_mca3
-# Column.15: ca_ka_mca4
-# Column.16: v_ka_mca1
-# Column.17: v_ka_mca2
-# Column.18: v_ka_mca3
-# Column.19: v_ka_mca4
-# Column.20: clock_mca1
-# Column.21: clock_mca2
-# Column.22: clock_mca3
-# Column.23: clock_mca4
-# Column.24: dtfactor_mca1
-# Column.25: dtfactor_mca2
-# Column.26: dtfactor_mca3
-# Column.27: dtfactor_mca4
-# Legend.End: here
-# Scan.end_time: 2018-11-27 07:21:14
-# ExtraPVs.Start: Family.Member: Value | PV
-# Beamline.FOE_Slit_HPos: 0.0250 || 13IDA:m5.VAL
-# Beamline.FOE_Slit_HWid: 0.8000 || 13IDA:m6.VAL
-# Beamline.FOE_Slit_VPos: -0.1250 || 13IDA:m7.VAL
-# Beamline.FOE_Slit_VWid: 0.2500 || 13IDA:m8.VAL
-# Beamline.FluxEstimate: 2.475e+12 || 13XRM:ION:FluxOut.VAL
-# Beamline.I0_Sensitivity_Number: 100 || 13IDE:A1sens_num.VAL
-# Beamline.I0_Sensitivity_Unit: nA/V || 13IDE:A1sens_unit.VAL
-# Beamline.I1_Sensitivity_Number: 200 || 13IDE:A2sens_num.VAL
-# Beamline.I1_Sensitivity_Unit: nA/V || 13IDE:A2sens_unit.VAL
-# Beamline.I2_Sensitivity_Number: 20 || 13IDE:A3sens_num.VAL
-# Beamline.I2_Sensitivity_Unit: nA/V || 13IDE:A3sens_unit.VAL
-# Beamline.SSA_Slit_HPos: 0 || 13IDA:m69.VAL
-# Beamline.SSA_Slit_HWid: 0.0500 || 13IDA:m70.VAL
-# Beamline.SSA_Slit_VPos: 0.7500 || 13IDA:m71.VAL
-# Beamline.SSA_Slit_VWid: 0.3000 || 13IDA:m72.VAL
-# DetectorStage.X: 15380.0 || 13IDE:m34.VAL
-# DetectorStage.Y: 291.740 || 13IDE:m4.VAL
-# DetectorStage.Z: 125.0000 || 13IDE:m19.VAL
-# Facility.Ring_Current: 86.8 || S:SRcurrentAI.VAL
-# Facility.Ring_Lifetime: 76.7 || S:SRlifeTimeHrsCC.VAL
-# Monochromator.d_spacing: 3.13477 || 13IDE:En:dspace.VAL
-# Monochromator.height: 24.90000 || 13IDE:En:height.VAL
-# Monochromator.theta_offset: 17.54913 || 13IDA:m65.OFF
-# Monochromator.xtal2_pitch: -0.1160 || 13IDA:m67.VAL
-# Monochromator.xtal2_rol: 1.0400 || 13IDA:m68.VAL
-# Monochromator.xtal2_y: 13.3075 || 13IDA:m66.VAL
-# Monochromator.xtal2_y_off: 11.6000 || 13IDA:m66.OFF
-# SampleStage.CoarseX: 130.7285 || 13XRM:m4.VAL
-# SampleStage.CoarseY: 89.3002 || 13XRM:m5.VAL
-# SampleStage.CoarseZ: 211.0609 || 13XRM:m6.VAL
-# SampleStage.FineX: 0.35598 || 13XRM:m1.VAL
-# SampleStage.FineY: 0.21200 || 13XRM:m2.VAL
-# SampleStage.Theta: 0 || 13XRM:m3.VAL
-# Undulator.Energy: 5.759 || ID13us:Energy.VAL
-# Monochromator.Energy: 5600.00000 || 13IDE:En:Energy.VAL
-# ExtraPVs.End: here
-# ScanParameters.Start: Scan.Member: Value
-# ScanParameters.ScanType: xafs
-# ScanParameters.element: V
-# ScanParameters.edge: K
-# ScanParameters.E0: 5465.000
-# ScanParameters.Legend: Start, Stop, Step, K-space, Time
-# ScanParameters.Region1: -100.000, -10.000, 2.500 False 0.50
-# ScanParameters.Region2: -10.000, 25.008, 0.150 False 0.50
-# ScanParameters.Region3: 2.562, 8.500, 0.060 True 0.50
-# ScanParameters.End: here
-# Process.program: xraylarch
-# Process.version: 0.9.80
-# Process.command: pre_edge(data, nvict=0, pre1=-150, pre2=-50, norm1=150, norm2=750, make_flat=True)
-# Process.step1: using col1..col27 for 27 from arrays in rawdata
-# Process.step2: energy = col1 # column 1: energy (eV)
-# Process.step3: i0 = col4 # column 4: incident beam intensity
-# Process.step4: # fluorescence: sum 4 channels, with deadtime corection from columns in the data
-# Process.step5: ifluor = col16*col24+col17*col25+col18*col26+col19*col27
-# Process.step6: mu = iflour/i0
-# Process.step7: edge_step = 0.002056264
-# Process.step8: pre_edge = -1.714228e-4 + 5.225041e-8*energy
-# Process.step9: intensity = norm = (mu - pre_edge) /edge_step
-# /// Users Comments ///
-#
-#---------------------------------
-# energy norm ifluor i0 tscaler i1 i2 outputcounts_mca1 outputcounts_mca2 outputcounts_mca3 outputcounts_mca4 ca_ka_mca1 ca_ka_mca2 ca_ka_mca3 ca_ka_mca4 v_ka_mca1 v_ka_mca2 v_ka_mca3 v_ka_mca4 clock_mca1 clock_mca2 clock_mca3 clock_mca4 dtfactor_mca1 dtfactor_mca2 dtfactor_mca3 dtfactor_mca4
- 5365.01803700 0.00717725438 1400.13234000 11322446.0000 24999694.0000 46813.0000000 371.000000000 310091.000000 99285.0000000 116370.000000 157086.000000 212975.000000 65702.0000000 76136.0000000 103996.000000 282.000000000 415.000000000 310.000000000 365.000000000 39994750.0000 39994750.0000 39994750.0000 39994750.0000 1.01905500000 1.01597300000 1.02164200000 1.02581100000
- 5367.51562400 -0.00359820205 1137.79254000 11195087.0000 24999220.0000 46818.0000000 372.000000000 114597.000000 98053.0000000 114994.000000 155828.000000 79196.0000000 64766.0000000 75286.0000000 103539.000000 109.000000000 384.000000000 297.000000000 325.000000000 39993991.0000 39993991.0000 39993991.0000 39993991.0000 1.01887700000 1.01577900000 1.02138800000 1.02561100000
- 5370.01662400 0.00041875557 1218.10951900 11071327.0000 24999435.0000 46789.0000000 372.000000000 113485.000000 98029.0000000 114524.000000 155068.000000 78071.0000000 64869.0000000 75398.0000000 103095.000000 118.000000000 441.000000000 293.000000000 342.000000000 39994335.0000 39994335.0000 39994335.0000 39994335.0000 1.01864600000 1.01577200000 1.02129700000 1.02547900000
- 5372.51471900 -0.00277263544 1156.36578400 11162695.0000 24999310.0000 46842.0000000 371.000000000 112076.000000 98513.0000000 114855.000000 155791.000000 77444.0000000 65224.0000000 75347.0000000 103600.000000 102.000000000 380.000000000 292.000000000 359.000000000 39994135.0000 39994135.0000 39994135.0000 39994135.0000 1.01878700000 1.01585000000 1.02135900000 1.02559800000
- 5375.01713000 -0.00038133450 1231.78413400 11338231.0000 24999742.0000 46803.0000000 372.000000000 112941.000000 99611.0000000 116374.000000 157328.000000 77950.0000000 65835.0000000 76322.0000000 104558.000000 111.000000000 448.000000000 303.000000000 345.000000000 39994826.0000 39994826.0000 39994826.0000 39994826.0000 1.01911800000 1.01602900000 1.02164800000 1.02586000000
- 5377.51843500 0.00001460476 1249.55979500 11402681.0000 24999208.0000 46839.0000000 371.000000000 114948.000000 100922.000000 117324.000000 158791.000000 79520.0000000 66563.0000000 77105.0000000 105358.000000 118.000000000 429.000000000 313.000000000 364.000000000 39993972.0000 39993972.0000 39993972.0000 39993972.0000 1.01916600000 1.01623900000 1.02182400000 1.02610100000
- 5380.01953400 0.00075513454 1279.29495000 11500506.0000 24999297.0000 46880.0000000 371.000000000 115212.000000 101244.000000 118127.000000 160163.000000 79501.0000000 66966.0000000 77617.0000000 106450.000000 113.000000000 456.000000000 309.000000000 375.000000000 39994114.0000 39994114.0000 39994114.0000 39994114.0000 1.01935800000 1.01630100000 1.02198500000 1.02634900000
- 5382.52042200 -0.00074171781 1243.86743400 11486353.0000 24999382.0000 47252.0000000 372.000000000 116261.000000 101620.000000 118866.000000 160600.000000 80236.0000000 67143.0000000 78185.0000000 106182.000000 110.000000000 412.000000000 321.000000000 375.000000000 39994250.0000 39994250.0000 39994250.0000 39994250.0000 1.01936000000 1.01635400000 1.02211600000 1.02640200000
- 5385.02109400 2.01297567e-6 1267.17169600 11524891.0000 24999556.0000 47215.0000000 371.000000000 116369.000000 102201.000000 118823.000000 160338.000000 80083.0000000 67493.0000000 77911.0000000 106377.000000 110.000000000 443.000000000 330.000000000 358.000000000 39994529.0000 39994529.0000 39994529.0000 39994529.0000 1.01951100000 1.01645000000 1.02211200000 1.02637200000
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- 5685.12198100 0.88790768945 19156.3130930 9816705.00000 24999304.0000 46836.0000000 372.000000000 107595.000000 91884.0000000 105341.000000 143803.000000 69692.0000000 56962.0000000 65325.0000000 89772.0000000 4465.00000000 4097.00000000 4489.00000000 5743.00000000 39994125.0000 39994125.0000 39994125.0000 39994125.0000 1.01751600000 1.01478200000 1.01957700000 1.02362200000
- 5688.60921600 0.88796513266 19070.6170690 9771286.00000 24999345.0000 46896.0000000 373.000000000 105292.000000 91246.0000000 104781.000000 142604.000000 68106.0000000 56489.0000000 64721.0000000 88806.0000000 4385.00000000 4086.00000000 4478.00000000 5763.00000000 39994191.0000 39994191.0000 39994191.0000 39994191.0000 1.01743100000 1.01468000000 1.01947200000 1.02342600000
- 5692.12454400 0.88122030350 19231.1895940 9923141.00000 24999400.0000 46886.0000000 373.000000000 104793.000000 92719.0000000 106333.000000 145455.000000 67909.0000000 57531.0000000 65606.0000000 90487.0000000 4256.00000000 4133.00000000 4582.00000000 5892.00000000 39994280.0000 39994280.0000 39994280.0000 39994280.0000 1.01766300000 1.01491800000 1.01976400000 1.02389700000
- 5695.66602200 0.86890915521 19076.2532680 9972507.00000 24999585.0000 46858.0000000 373.000000000 106142.000000 92491.0000000 106771.000000 144715.000000 68294.0000000 57358.0000000 65858.0000000 89844.0000000 4410.00000000 4089.00000000 4518.00000000 5695.00000000 39994575.0000 39994575.0000 39994575.0000 39994575.0000 1.01775400000 1.01488300000 1.01984700000 1.02378100000
- 5699.23579300 0.88389496726 19326.7222440 9942314.00000 24999286.0000 46910.0000000 373.000000000 106727.000000 92141.0000000 106248.000000 143965.000000 68865.0000000 56963.0000000 65673.0000000 89840.0000000 4497.00000000 4227.00000000 4443.00000000 5793.00000000 39994097.0000 39994097.0000 39994097.0000 39994097.0000 1.01762900000 1.01482600000 1.01974700000 1.02365600000
- 5702.83396300 0.87937419965 18954.1014040 9796526.00000 24999496.0000 46937.0000000 373.000000000 105976.000000 90282.0000000 104387.000000 141993.000000 68513.0000000 56348.0000000 64256.0000000 88309.0000000 4492.00000000 4012.00000000 4457.00000000 5639.00000000 39994433.0000 39994433.0000 39994433.0000 39994433.0000 1.01734100000 1.01452300000 1.01939500000 1.02331900000
- 5706.45755100 0.87606615424 18685.7116480 9690930.00000 24999357.0000 46809.0000000 372.000000000 104277.000000 89450.0000000 103400.000000 140293.000000 67560.0000000 55571.0000000 63932.0000000 87409.0000000 4340.00000000 4076.00000000 4381.00000000 5544.00000000 39994210.0000 39994210.0000 39994210.0000 39994210.0000 1.01709300000 1.01438900000 1.01920800000 1.02303900000
- 5710.10974000 0.87461273095 18720.6761180 9723172.00000 24999454.0000 46528.0000000 373.000000000 102768.000000 89268.0000000 103666.000000 140457.000000 66417.0000000 55527.0000000 64252.0000000 87509.0000000 4368.00000000 4001.00000000 4538.00000000 5468.00000000 39994365.0000 39994365.0000 39994365.0000 39994365.0000 1.01711400000 1.01435800000 1.01925600000 1.02306000000
- 5713.79063800 0.85166836825 18228.3370020 9704287.00000 24999387.0000 46588.0000000 373.000000000 102932.000000 89629.0000000 103282.000000 140271.000000 66474.0000000 55817.0000000 63797.0000000 87309.0000000 4213.00000000 3837.00000000 4382.00000000 5459.00000000 39994259.0000 39994259.0000 39994259.0000 39994259.0000 1.01713900000 1.01441500000 1.01918700000 1.02303400000
- 5717.49622100 0.86124752790 18542.7052340 9768209.00000 24999304.0000 46559.0000000 373.000000000 103059.000000 89953.0000000 103141.000000 141803.000000 66445.0000000 55817.0000000 63652.0000000 88362.0000000 4333.00000000 4007.00000000 4347.00000000 5512.00000000 39994126.0000 39994126.0000 39994126.0000 39994126.0000 1.01709600000 1.01447100000 1.01916300000 1.02328400000
- 5721.22968500 0.87657894698 18617.6644180 9646502.00000 24999496.0000 46484.0000000 373.000000000 102733.000000 89019.0000000 101913.000000 138476.000000 66501.0000000 55229.0000000 63106.0000000 86097.0000000 4311.00000000 4045.00000000 4383.00000000 5539.00000000 39994432.0000 39994432.0000 39994432.0000 39994432.0000 1.01690900000 1.01431400000 1.01892700000 1.02273200000
- 5724.99216900 0.86722299485 18030.2751130 9435244.00000 24999393.0000 46471.0000000 373.000000000 101708.000000 87045.0000000 100052.000000 136334.000000 65745.0000000 54376.0000000 61683.0000000 85301.0000000 4291.00000000 3836.00000000 4179.00000000 5401.00000000 39994267.0000 39994267.0000 39994267.0000 39994267.0000 1.01659000000 1.01399200000 1.01857400000 1.02236500000
- 5728.78067400 0.85025924127 17656.0339150 9410200.00000 24999448.0000 46489.0000000 373.000000000 99828.0000000 85977.0000000 99165.0000000 135186.000000 64758.0000000 53584.0000000 61312.0000000 84247.0000000 4114.00000000 3726.00000000 4225.00000000 5277.00000000 39994356.0000 39994356.0000 39994356.0000 39994356.0000 1.01645000000 1.01382400000 1.01841200000 1.02218300000
- 5732.59633900 0.84268078508 17626.2016450 9471963.00000 24999388.0000 46508.0000000 372.000000000 98941.0000000 86454.0000000 99504.0000000 135411.000000 64110.0000000 53788.0000000 61623.0000000 84749.0000000 4050.00000000 3796.00000000 4217.00000000 5249.00000000 39994260.0000 39994260.0000 39994260.0000 39994260.0000 1.01653800000 1.01389600000 1.01847000000 1.02221100000
diff --git a/conversion_examples/MultiElementFluor/V_XANES_ap7_new.001 b/conversion_examples/MultiElementFluor/V_XANES_ap7_new.001
deleted file mode 100644
index 1341e6f..0000000
--- a/conversion_examples/MultiElementFluor/V_XANES_ap7_new.001
+++ /dev/null
@@ -1,460 +0,0 @@
-# XDI/1.1
-# Column.1: energy eV
-# Column.2: norm
-# Column.3: ifluor
-# Column.4: i0
-# Column.5: tscaler
-# Column.6: i1
-# Column.7: i2
-# Column.8: outputcounts_mca1
-# Column.9: outputcounts_mca2
-# Column.10: outputcounts_mca3
-# Column.11: outputcounts_mca4
-# Column.12: ca_ka_mca1
-# Column.13: ca_ka_mca2
-# Column.14: ca_ka_mca3
-# Column.15: ca_ka_mca4
-# Column.16: v_ka_mca1
-# Column.17: v_ka_mca2
-# Column.18: v_ka_mca3
-# Column.19: v_ka_mca4
-# Column.20: clock_mca1
-# Column.21: clock_mca2
-# Column.22: clock_mca3
-# Column.23: clock_mca4
-# Column.24: dtfactor_mca1
-# Column.25: dtfactor_mca2
-# Column.26: dtfactor_mca3
-# Column.27: dtfactor_mca4
-# Legend.End: here
-# Scan.end_time: 2018-11-27 07:24:36
-# ExtraPVs.Start: Family.Member: Value | PV
-# Beamline.FOE_Slit_HPos: 0.0250 || 13IDA:m5.VAL
-# Beamline.FOE_Slit_HWid: 0.8000 || 13IDA:m6.VAL
-# Beamline.FOE_Slit_VPos: -0.1250 || 13IDA:m7.VAL
-# Beamline.FOE_Slit_VWid: 0.2500 || 13IDA:m8.VAL
-# Beamline.FluxEstimate: 1.438e+12 || 13XRM:ION:FluxOut.VAL
-# Beamline.I0_Sensitivity_Number: 100 || 13IDE:A1sens_num.VAL
-# Beamline.I0_Sensitivity_Unit: nA/V || 13IDE:A1sens_unit.VAL
-# Beamline.I1_Sensitivity_Number: 200 || 13IDE:A2sens_num.VAL
-# Beamline.I1_Sensitivity_Unit: nA/V || 13IDE:A2sens_unit.VAL
-# Beamline.I2_Sensitivity_Number: 20 || 13IDE:A3sens_num.VAL
-# Beamline.I2_Sensitivity_Unit: nA/V || 13IDE:A3sens_unit.VAL
-# Beamline.SSA_Slit_HPos: 0 || 13IDA:m69.VAL
-# Beamline.SSA_Slit_HWid: 0.0500 || 13IDA:m70.VAL
-# Beamline.SSA_Slit_VPos: 0.7500 || 13IDA:m71.VAL
-# Beamline.SSA_Slit_VWid: 0.3000 || 13IDA:m72.VAL
-# DetectorStage.X: 15380.0 || 13IDE:m34.VAL
-# DetectorStage.Y: 291.740 || 13IDE:m4.VAL
-# DetectorStage.Z: 125.0000 || 13IDE:m19.VAL
-# Facility.Ring_Current: 86.7 || S:SRcurrentAI.VAL
-# Facility.Ring_Lifetime: 78.6 || S:SRlifeTimeHrsCC.VAL
-# Monochromator.d_spacing: 3.13477 || 13IDE:En:dspace.VAL
-# Monochromator.height: 24.90000 || 13IDE:En:height.VAL
-# Monochromator.theta_offset: 17.54913 || 13IDA:m65.OFF
-# Monochromator.xtal2_pitch: -0.1160 || 13IDA:m67.VAL
-# Monochromator.xtal2_rol: 1.0400 || 13IDA:m68.VAL
-# Monochromator.xtal2_y: 13.3075 || 13IDA:m66.VAL
-# Monochromator.xtal2_y_off: 11.6000 || 13IDA:m66.OFF
-# SampleStage.CoarseX: 130.7285 || 13XRM:m4.VAL
-# SampleStage.CoarseY: 89.3002 || 13XRM:m5.VAL
-# SampleStage.CoarseZ: 211.0609 || 13XRM:m6.VAL
-# SampleStage.FineX: 0.15600 || 13XRM:m1.VAL
-# SampleStage.FineY: 0.14800 || 13XRM:m2.VAL
-# SampleStage.Theta: 0 || 13XRM:m3.VAL
-# Undulator.Energy: 5.771 || ID13us:Energy.VAL
-# Monochromator.Energy: 5600.00000 || 13IDE:En:Energy.VAL
-# ExtraPVs.End: here
-# ScanParameters.Start: Scan.Member: Value
-# ScanParameters.ScanType: xafs
-# ScanParameters.element: V
-# ScanParameters.edge: K
-# ScanParameters.E0: 5465.000
-# ScanParameters.Legend: Start, Stop, Step, K-space, Time
-# ScanParameters.Region1: -100.000, -10.000, 2.500 False 0.50
-# ScanParameters.Region2: -10.000, 25.008, 0.150 False 0.50
-# ScanParameters.Region3: 2.562, 8.500, 0.060 True 0.50
-# ScanParameters.End: here
-# Process.program: xraylarch
-# Process.version: 0.9.80
-# Process.command: pre_edge(data, nvict=0, pre1=-150, pre2=-50, norm1=150, norm2=750, make_flat=True)
-# Process.step1: using col1..col27 for 27 from arrays in rawdata
-# Process.step2: energy = col1 # column 1: energy (eV)
-# Process.step3: i0 = col4 # column 4: incident beam intensity
-# Process.step4: # fluorescence: sum 4 channels, with deadtime corection from columns in the data
-# Process.step5: ifluor = col16*col24+col17*col25+col18*col26+col19*col27
-# Process.step6: mu = iflour/i0
-# Process.step7: edge_step = 0.002454442
-# Process.step8: pre_edge = 4.638215e-6 + 1.906745e-8*energy
-# Process.step9: intensity = norm = (mu - pre_edge) /edge_step
-# /// Users Comments ///
-#
-#---------------------------------
-# energy norm ifluor i0 tscaler i1 i2 outputcounts_mca1 outputcounts_mca2 outputcounts_mca3 outputcounts_mca4 ca_ka_mca1 ca_ka_mca2 ca_ka_mca3 ca_ka_mca4 v_ka_mca1 v_ka_mca2 v_ka_mca3 v_ka_mca4 clock_mca1 clock_mca2 clock_mca3 clock_mca4 dtfactor_mca1 dtfactor_mca2 dtfactor_mca3 dtfactor_mca4
- 5365.01623500 0.00528399037 1263.55079000 10537966.0000 24999412.0000 46845.0000000 372.000000000 286537.000000 92349.0000000 107408.000000 145437.000000 197930.000000 61398.0000000 70706.0000000 96536.0000000 263.000000000 375.000000000 268.000000000 334.000000000 39994298.0000 39994298.0000 39994298.0000 39994298.0000 1.01773800000 1.01484600000 1.01995100000 1.02386700000
- 5367.51382100 -0.00243422473 1038.03150000 10276692.0000 24999430.0000 46877.0000000 372.000000000 106787.000000 90038.0000000 105012.000000 142152.000000 73725.0000000 59638.0000000 69350.0000000 94718.0000000 87.0000000000 362.000000000 261.000000000 309.000000000 39994327.0000 39994327.0000 39994327.0000 39994327.0000 1.01727700000 1.01446800000 1.01949500000 1.02331000000
- 5370.01752600 -0.00162190643 1055.37522400 10241404.0000 24999489.0000 46801.0000000 373.000000000 104057.000000 90331.0000000 104885.000000 142255.000000 71954.0000000 59771.0000000 69118.0000000 94864.0000000 93.0000000000 360.000000000 272.000000000 311.000000000 39994422.0000 39994422.0000 39994422.0000 39994422.0000 1.01726500000 1.01450900000 1.01946600000 1.02331700000
- 5372.51833200 0.00164887016 1131.61935900 10183258.0000 24999274.0000 46846.0000000 372.000000000 104062.000000 90105.0000000 104133.000000 141095.000000 71988.0000000 59849.0000000 68610.0000000 93945.0000000 108.000000000 386.000000000 284.000000000 333.000000000 39994078.0000 39994078.0000 39994078.0000 39994078.0000 1.01703300000 1.01447600000 1.01932900000 1.02313100000
- 5375.01893800 -0.00075562677 1074.66091000 10208474.0000 24999418.0000 46889.0000000 372.000000000 102570.000000 89778.0000000 104548.000000 141741.000000 70999.0000000 59789.0000000 69059.0000000 94421.0000000 113.000000000 355.000000000 268.000000000 319.000000000 39994308.0000 39994308.0000 39994308.0000 39994308.0000 1.01709800000 1.01442000000 1.01940300000 1.02322800000
- 5377.51843500 -0.00068404725 1098.70314600 10414761.0000 24999453.0000 46818.0000000 372.000000000 103017.000000 91634.0000000 106142.000000 144582.000000 71440.0000000 60915.0000000 70103.0000000 96630.0000000 89.0000000000 364.000000000 262.000000000 363.000000000 39994364.0000 39994364.0000 39994364.0000 39994364.0000 1.01757100000 1.01473100000 1.01971400000 1.02372500000
- 5380.01862800 -0.00011324496 1109.94215800 10378774.0000 24999466.0000 46797.0000000 372.000000000 105768.000000 92116.0000000 106306.000000 144686.000000 73003.0000000 61276.0000000 70083.0000000 96616.0000000 87.0000000000 351.000000000 307.000000000 344.000000000 39994385.0000 39994385.0000 39994385.0000 39994385.0000 1.01744400000 1.01480600000 1.01974400000 1.02373900000
- 5382.51860800 -0.00215073739 1059.92731100 10392439.0000 24999424.0000 47101.0000000 372.000000000 104965.000000 91782.0000000 106815.000000 144672.000000 72473.0000000 60824.0000000 70636.0000000 96542.0000000 85.0000000000 355.000000000 267.000000000 333.000000000 39994317.0000 39994317.0000 39994317.0000 39994317.0000 1.01755300000 1.01475100000 1.01983500000 1.02373200000
- 5385.01927900 0.00167914335 1178.41729600 10574632.0000 24999327.0000 47201.0000000 373.000000000 105682.000000 93340.0000000 108528.000000 147115.000000 73120.0000000 61807.0000000 71572.0000000 97995.0000000 89.0000000000 419.000000000 281.000000000 367.000000000 39994162.0000 39994162.0000 39994162.0000 39994162.0000 1.01788600000 1.01501400000 1.02016900000 1.02416100000
- 5387.52063800 -0.00052043672 1117.13631700 10530370.0000 24999466.0000 47200.0000000 372.000000000 107569.000000 92949.0000000 108272.000000 146151.000000 74396.0000000 61689.0000000 71399.0000000 97899.0000000 106.000000000 379.000000000 271.000000000 340.000000000 39994385.0000 39994385.0000 39994385.0000 39994385.0000 1.01769800000 1.01493700000 1.02010600000 1.02397200000
- 5390.01904500 0.00083771071 1150.67391100 10511488.0000 24999376.0000 47156.0000000 373.000000000 106570.000000 92734.0000000 107845.000000 146768.000000 73670.0000000 61765.0000000 71045.0000000 98144.0000000 94.0000000000 407.000000000 289.000000000 339.000000000 39994241.0000 39994241.0000 39994241.0000 39994241.0000 1.01765100000 1.01490400000 1.02002900000 1.02407200000
- 5392.51995100 0.00001133946 1137.52158000 10582814.0000 24999429.0000 47218.0000000 372.000000000 106259.000000 93652.0000000 108216.000000 147443.000000 73366.0000000 62154.0000000 71213.0000000 98289.0000000 98.0000000000 396.000000000 304.000000000 318.000000000 39994326.0000 39994326.0000 39994326.0000 39994326.0000 1.01793400000 1.01505200000 1.02010000000 1.02419200000
- 5395.02244800 -0.00142036481 1093.67776300 10513978.0000 24999328.0000 47219.0000000 372.000000000 108005.000000 93012.0000000 108284.000000 146537.000000 74639.0000000 61864.0000000 71285.0000000 97469.0000000 120.000000000 364.000000000 273.000000000 316.000000000 39994164.0000 39994164.0000 39994164.0000 39994164.0000 1.01781600000 1.01495800000 1.02011900000 1.02405900000
- 5397.52197500 -0.00040015956 1126.33352400 10568657.0000 24999454.0000 47205.0000000 372.000000000 107185.000000 93242.0000000 108056.000000 146425.000000 73833.0000000 62071.0000000 70931.0000000 97756.0000000 95.0000000000 389.000000000 279.000000000 342.000000000 39994365.0000 39994365.0000 39994365.0000 39994365.0000 1.01778100000 1.01498600000 1.02006900000 1.02402200000
- 5400.02034600 -0.00236284912 1062.97737400 10441479.0000 24999448.0000 47239.0000000 373.000000000 107067.000000 91863.0000000 107348.000000 144538.000000 73979.0000000 61075.0000000 70673.0000000 96169.0000000 83.0000000000 345.000000000 306.000000000 309.000000000 39994356.0000 39994356.0000 39994356.0000 39994356.0000 1.01755400000 1.01476400000 1.01993400000 1.02371200000
- 5402.51938200 0.00077601721 1139.23025400 10398692.0000 24999357.0000 47264.0000000 372.000000000 105691.000000 92160.0000000 106398.000000 144638.000000 72950.0000000 60832.0000000 70374.0000000 96114.0000000 109.000000000 391.000000000 284.000000000 334.000000000 39994210.0000 39994210.0000 39994210.0000 39994210.0000 1.01748700000 1.01480900000 1.01975600000 1.02372200000
- 5405.02091100 -0.00128183027 1098.67799900 10508438.0000 24999496.0000 47295.0000000 372.000000000 105286.000000 92886.0000000 107584.000000 145669.000000 72736.0000000 61714.0000000 71003.0000000 97062.0000000 91.0000000000 376.000000000 294.000000000 317.000000000 39994433.0000 39994433.0000 39994433.0000 39994433.0000 1.01775800000 1.01492700000 1.01998000000 1.02389700000
- 5407.52218900 -0.00064787415 1113.24327200 10486893.0000 24999364.0000 47296.0000000 372.000000000 106946.000000 93026.0000000 108169.000000 145884.000000 73856.0000000 61771.0000000 71109.0000000 97253.0000000 96.0000000000 345.000000000 314.000000000 337.000000000 39994221.0000 39994221.0000 39994221.0000 39994221.0000 1.01773400000 1.01495700000 1.02009500000 1.02394900000
- 5410.02137800 0.00078090700 1151.67344500 10497415.0000 24999381.0000 47213.0000000 372.000000000 106706.000000 92948.0000000 107610.000000 146074.000000 73525.0000000 61822.0000000 70828.0000000 97364.0000000 106.000000000 398.000000000 291.000000000 335.000000000 39994249.0000 39994249.0000 39994249.0000 39994249.0000 1.01775900000 1.01494000000 1.01998600000 1.02396700000
- 5412.52213800 0.00063327517 1149.60135400 10508669.0000 24999460.0000 47176.0000000 372.000000000 106927.000000 92733.0000000 107753.000000 145759.000000 73985.0000000 61291.0000000 70709.0000000 97216.0000000 109.000000000 402.000000000 279.000000000 338.000000000 39994376.0000 39994376.0000 39994376.0000 39994376.0000 1.01781000000 1.01490600000 1.02001400000 1.02391700000
- 5415.02263400 0.00261727531 1188.64511600 10398179.0000 24999412.0000 47229.0000000 372.000000000 107248.000000 92341.0000000 107490.000000 145040.000000 74039.0000000 61282.0000000 70640.0000000 96721.0000000 95.0000000000 365.000000000 325.000000000 381.000000000 39994299.0000 39994299.0000 39994299.0000 39994299.0000 1.01758500000 1.01484400000 1.01996400000 1.02380100000
- 5417.52010100 0.00093539292 1160.08164600 10523967.0000 24999393.0000 46935.0000000 372.000000000 105830.000000 93060.0000000 108498.000000 146199.000000 72884.0000000 61924.0000000 71581.0000000 97216.0000000 104.000000000 378.000000000 305.000000000 351.000000000 39994268.0000 39994268.0000 39994268.0000 39994268.0000 1.01784100000 1.01496100000 1.02015500000 1.02399900000
- 5420.02097100 -0.00125552927 1106.19809300 10545007.0000 24999388.0000 46916.0000000 372.000000000 107385.000000 93140.0000000 108135.000000 147017.000000 73915.0000000 61554.0000000 71081.0000000 97821.0000000 103.000000000 342.000000000 297.000000000 343.000000000 39994261.0000 39994261.0000 39994261.0000 39994261.0000 1.01781500000 1.01497400000 1.02008800000 1.02412800000
- 5422.52248500 0.00026651919 1133.31406000 10427413.0000 24999784.0000 46837.0000000 372.000000000 107213.000000 92563.0000000 107773.000000 145034.000000 73945.0000000 61460.0000000 71131.0000000 96581.0000000 104.000000000 378.000000000 302.000000000 328.000000000 39994893.0000 39994893.0000 39994893.0000 39994893.0000 1.01769500000 1.01487700000 1.02001500000 1.02379800000
- 5425.02095200 0.00017839059 1133.19998700 10442569.0000 24999159.0000 46859.0000000 372.000000000 106553.000000 92664.0000000 106799.000000 145568.000000 73548.0000000 61359.0000000 70556.0000000 96871.0000000 107.000000000 399.000000000 275.000000000 331.000000000 39993893.0000 39993893.0000 39993893.0000 39993893.0000 1.01766200000 1.01489800000 1.01984100000 1.02389600000
- 5427.52097600 0.00005766173 1128.21922700 10420548.0000 24999310.0000 46925.0000000 372.000000000 106277.000000 92624.0000000 106770.000000 145906.000000 73428.0000000 61567.0000000 70609.0000000 96944.0000000 95.0000000000 386.000000000 289.000000000 337.000000000 39994136.0000 39994136.0000 39994136.0000 39994136.0000 1.01761600000 1.01488800000 1.01983100000 1.02394000000
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diff --git a/conversion_examples/MultiElementFluor/V_XANES_ap8_new.001 b/conversion_examples/MultiElementFluor/V_XANES_ap8_new.001
deleted file mode 100644
index 8c1a4c4..0000000
--- a/conversion_examples/MultiElementFluor/V_XANES_ap8_new.001
+++ /dev/null
@@ -1,460 +0,0 @@
-# XDI/1.1
-# Column.1: energy eV
-# Column.2: norm
-# Column.3: ifluor
-# Column.4: i0
-# Column.5: tscaler
-# Column.6: i1
-# Column.7: i2
-# Column.8: outputcounts_mca1
-# Column.9: outputcounts_mca2
-# Column.10: outputcounts_mca3
-# Column.11: outputcounts_mca4
-# Column.12: ca_ka_mca1
-# Column.13: ca_ka_mca2
-# Column.14: ca_ka_mca3
-# Column.15: ca_ka_mca4
-# Column.16: v_ka_mca1
-# Column.17: v_ka_mca2
-# Column.18: v_ka_mca3
-# Column.19: v_ka_mca4
-# Column.20: clock_mca1
-# Column.21: clock_mca2
-# Column.22: clock_mca3
-# Column.23: clock_mca4
-# Column.24: dtfactor_mca1
-# Column.25: dtfactor_mca2
-# Column.26: dtfactor_mca3
-# Column.27: dtfactor_mca4
-# Legend.End: here
-# Scan.end_time: 2018-11-27 07:27:57
-# ExtraPVs.Start: Family.Member: Value | PV
-# Beamline.FOE_Slit_HPos: 0.0250 || 13IDA:m5.VAL
-# Beamline.FOE_Slit_HWid: 0.8000 || 13IDA:m6.VAL
-# Beamline.FOE_Slit_VPos: -0.1250 || 13IDA:m7.VAL
-# Beamline.FOE_Slit_VWid: 0.2500 || 13IDA:m8.VAL
-# Beamline.FluxEstimate: 2.708e+12 || 13XRM:ION:FluxOut.VAL
-# Beamline.I0_Sensitivity_Number: 100 || 13IDE:A1sens_num.VAL
-# Beamline.I0_Sensitivity_Unit: nA/V || 13IDE:A1sens_unit.VAL
-# Beamline.I1_Sensitivity_Number: 200 || 13IDE:A2sens_num.VAL
-# Beamline.I1_Sensitivity_Unit: nA/V || 13IDE:A2sens_unit.VAL
-# Beamline.I2_Sensitivity_Number: 20 || 13IDE:A3sens_num.VAL
-# Beamline.I2_Sensitivity_Unit: nA/V || 13IDE:A3sens_unit.VAL
-# Beamline.SSA_Slit_HPos: 0 || 13IDA:m69.VAL
-# Beamline.SSA_Slit_HWid: 0.0500 || 13IDA:m70.VAL
-# Beamline.SSA_Slit_VPos: 0.7500 || 13IDA:m71.VAL
-# Beamline.SSA_Slit_VWid: 0.3000 || 13IDA:m72.VAL
-# DetectorStage.X: 15380.0 || 13IDE:m34.VAL
-# DetectorStage.Y: 291.740 || 13IDE:m4.VAL
-# DetectorStage.Z: 125.0000 || 13IDE:m19.VAL
-# Facility.Ring_Current: 86.7 || S:SRcurrentAI.VAL
-# Facility.Ring_Lifetime: 71.3 || S:SRlifeTimeHrsCC.VAL
-# Monochromator.d_spacing: 3.13477 || 13IDE:En:dspace.VAL
-# Monochromator.height: 24.90000 || 13IDE:En:height.VAL
-# Monochromator.theta_offset: 17.54913 || 13IDA:m65.OFF
-# Monochromator.xtal2_pitch: -0.1160 || 13IDA:m67.VAL
-# Monochromator.xtal2_rol: 1.0400 || 13IDA:m68.VAL
-# Monochromator.xtal2_y: 13.3075 || 13IDA:m66.VAL
-# Monochromator.xtal2_y_off: 11.6000 || 13IDA:m66.OFF
-# SampleStage.CoarseX: 130.7285 || 13XRM:m4.VAL
-# SampleStage.CoarseY: 89.3002 || 13XRM:m5.VAL
-# SampleStage.CoarseZ: 211.0609 || 13XRM:m6.VAL
-# SampleStage.FineX: 0.07205 || 13XRM:m1.VAL
-# SampleStage.FineY: 0.08400 || 13XRM:m2.VAL
-# SampleStage.Theta: 0 || 13XRM:m3.VAL
-# Undulator.Energy: 5.766 || ID13us:Energy.VAL
-# Monochromator.Energy: 5600.00000 || 13IDE:En:Energy.VAL
-# ExtraPVs.End: here
-# ScanParameters.Start: Scan.Member: Value
-# ScanParameters.ScanType: xafs
-# ScanParameters.element: V
-# ScanParameters.edge: K
-# ScanParameters.E0: 5465.000
-# ScanParameters.Legend: Start, Stop, Step, K-space, Time
-# ScanParameters.Region1: -100.000, -10.000, 2.500 False 0.50
-# ScanParameters.Region2: -10.000, 25.008, 0.150 False 0.50
-# ScanParameters.Region3: 2.562, 8.500, 0.060 True 0.50
-# ScanParameters.End: here
-# Process.program: xraylarch
-# Process.version: 0.9.80
-# Process.command: pre_edge(data, nvict=0, pre1=-150, pre2=-50, norm1=150, norm2=750, make_flat=True)
-# Process.step1: using col1..col27 for 27 from arrays in rawdata
-# Process.step2: energy = col1 # column 1: energy (eV)
-# Process.step3: i0 = col4 # column 4: incident beam intensity
-# Process.step4: # fluorescence: sum 4 channels, with deadtime corection from columns in the data
-# Process.step5: ifluor = col16*col24+col17*col25+col18*col26+col19*col27
-# Process.step6: mu = iflour/i0
-# Process.step7: edge_step = 2.669528e-4
-# Process.step8: pre_edge = 1.909377e-4 + -1.586601e-8*energy
-# Process.step9: intensity = norm = (mu - pre_edge) /edge_step
-# /// Users Comments ///
-#
-#---------------------------------
-# energy norm ifluor i0 tscaler i1 i2 outputcounts_mca1 outputcounts_mca2 outputcounts_mca3 outputcounts_mca4 ca_ka_mca1 ca_ka_mca2 ca_ka_mca3 ca_ka_mca4 v_ka_mca1 v_ka_mca2 v_ka_mca3 v_ka_mca4 clock_mca1 clock_mca2 clock_mca3 clock_mca4 dtfactor_mca1 dtfactor_mca2 dtfactor_mca3 dtfactor_mca4
- 5365.01803700 0.01082126313 1153.90063200 10614970.0000 24999436.0000 46857.0000000 373.000000000 108314.000000 93490.0000000 108863.000000 147082.000000 74782.0000000 62227.0000000 71527.0000000 98068.0000000 88.0000000000 411.000000000 292.000000000 341.000000000 39994337.0000 39994337.0000 39994337.0000 39994337.0000 1.01799300000 1.01503200000 1.02022600000 1.02414400000
- 5367.51472300 -0.03381237747 1008.73679200 10426183.0000 24999387.0000 46754.0000000 373.000000000 105101.000000 91806.0000000 105713.000000 144994.000000 72353.0000000 61269.0000000 69686.0000000 96585.0000000 78.0000000000 364.000000000 248.000000000 300.000000000 39994258.0000 39994258.0000 39994258.0000 39994258.0000 1.01746200000 1.01475500000 1.01963200000 1.02378400000
- 5370.01842900 -0.00703955191 1078.09713800 10380522.0000 24999484.0000 46795.0000000 373.000000000 104815.000000 91798.0000000 105867.000000 143702.000000 72200.0000000 60868.0000000 69471.0000000 95655.0000000 96.0000000000 368.000000000 256.000000000 338.000000000 39994414.0000 39994414.0000 39994414.0000 39994414.0000 1.01740500000 1.01475000000 1.01965600000 1.02356900000
- 5372.51742900 0.01630135554 1160.82163000 10548228.0000 24999436.0000 46796.0000000 373.000000000 107106.000000 92092.0000000 107106.000000 144965.000000 73940.0000000 61114.0000000 70311.0000000 96583.0000000 118.000000000 380.000000000 296.000000000 345.000000000 39994337.0000 39994337.0000 39994337.0000 39994337.0000 1.01778700000 1.01480500000 1.01989400000 1.02379200000
- 5375.01803400 -0.00310279333 1102.81067900 10520061.0000 24999417.0000 46831.0000000 373.000000000 106166.000000 91738.0000000 107458.000000 144884.000000 73206.0000000 60463.0000000 70528.0000000 96609.0000000 70.0000000000 371.000000000 295.000000000 346.000000000 39994306.0000 39994306.0000 39994306.0000 39994306.0000 1.01762300000 1.01474200000 1.01995300000 1.02376200000
- 5377.52024500 -0.00939275104 1081.20631600 10485901.0000 24999316.0000 46771.0000000 372.000000000 106274.000000 92484.0000000 106595.000000 144961.000000 73578.0000000 61216.0000000 70199.0000000 96477.0000000 98.0000000000 373.000000000 276.000000000 314.000000000 39994145.0000 39994145.0000 39994145.0000 39994145.0000 1.01765200000 1.01486400000 1.01979700000 1.02378400000
- 5380.01953400 0.01023307050 1148.65523900 10605256.0000 24999478.0000 46781.0000000 373.000000000 107462.000000 93430.0000000 108644.000000 146344.000000 74052.0000000 61999.0000000 71511.0000000 97495.0000000 106.000000000 403.000000000 296.000000000 322.000000000 39994404.0000 39994404.0000 39994404.0000 39994404.0000 1.01785400000 1.01502100000 1.02018300000 1.02402200000
- 5382.51951500 0.00075150837 1115.18050800 10546519.0000 24999369.0000 46792.0000000 373.000000000 107096.000000 92916.0000000 107637.000000 145458.000000 73897.0000000 61707.0000000 70781.0000000 96847.0000000 97.0000000000 355.000000000 303.000000000 339.000000000 39994230.0000 39994230.0000 39994230.0000 39994230.0000 1.01779100000 1.01493700000 1.01999400000 1.02387600000
- 5385.02018600 0.00688357908 1135.65526900 10580327.0000 24999460.0000 46811.0000000 373.000000000 107750.000000 93545.0000000 108081.000000 147051.000000 74660.0000000 62058.0000000 71133.0000000 98208.0000000 107.000000000 379.000000000 275.000000000 353.000000000 39994375.0000 39994375.0000 39994375.0000 39994375.0000 1.01789900000 1.01503800000 1.02007900000 1.02413300000
- 5387.51972900 0.00776499189 1146.91014600 10665743.0000 24999370.0000 46848.0000000 373.000000000 107804.000000 94116.0000000 109422.000000 148136.000000 74145.0000000 62244.0000000 72081.0000000 98468.0000000 93.0000000000 408.000000000 276.000000000 348.000000000 39994232.0000 39994232.0000 39994232.0000 39994232.0000 1.01791400000 1.01513000000 1.02032800000 1.02431200000
- 5390.01904500 -0.00049208228 1117.19798300 10610853.0000 24999507.0000 46769.0000000 373.000000000 107885.000000 93813.0000000 109052.000000 146693.000000 74465.0000000 62346.0000000 72020.0000000 97627.0000000 95.0000000000 396.000000000 273.000000000 332.000000000 39994450.0000 39994450.0000 39994450.0000 39994450.0000 1.01791900000 1.01508000000 1.02025800000 1.02407700000
- 5392.51995100 0.02424590424 1191.63719200 10653655.0000 24999328.0000 46785.0000000 373.000000000 108108.000000 93976.0000000 109137.000000 147690.000000 74335.0000000 62207.0000000 71903.0000000 98281.0000000 100.000000000 417.000000000 318.000000000 334.000000000 39994163.0000 39994163.0000 39994163.0000 39994163.0000 1.01795700000 1.01510600000 1.02027400000 1.02423700000
- 5395.02062500 -0.01294533017 1090.15506600 10699916.0000 24999370.0000 46780.0000000 373.000000000 108922.000000 94688.0000000 109899.000000 148404.000000 75005.0000000 62776.0000000 72163.0000000 98470.0000000 91.0000000000 345.000000000 297.000000000 336.000000000 39994231.0000 39994231.0000 39994231.0000 39994231.0000 1.01810400000 1.01522700000 1.02042300000 1.02437100000
- 5397.52106300 -0.00653606732 1106.17619700 10681939.0000 24999339.0000 46816.0000000 372.000000000 108704.000000 94504.0000000 109534.000000 148327.000000 74681.0000000 62534.0000000 71751.0000000 98490.0000000 94.0000000000 378.000000000 297.000000000 316.000000000 39994182.0000 39994182.0000 39994182.0000 39994182.0000 1.01805600000 1.01519200000 1.02034900000 1.02434400000
- 5400.02125900 0.01832905575 1180.75490500 10719139.0000 24999514.0000 46819.0000000 373.000000000 108859.000000 94175.0000000 109524.000000 148893.000000 75240.0000000 62230.0000000 72117.0000000 99228.0000000 108.000000000 399.000000000 283.000000000 368.000000000 39994461.0000 39994461.0000 39994461.0000 39994461.0000 1.01809400000 1.01514600000 1.02035300000 1.02445000000
- 5402.52029600 -0.00229548911 1106.91531400 10581508.0000 24999490.0000 46861.0000000 373.000000000 107032.000000 93622.0000000 108063.000000 146971.000000 74007.0000000 61896.0000000 70779.0000000 97691.0000000 97.0000000000 393.000000000 271.000000000 325.000000000 39994423.0000 39994423.0000 39994423.0000 39994423.0000 1.01777900000 1.01504800000 1.02007200000 1.02411500000
- 5405.02182600 -0.00813607901 1099.02399900 10669140.0000 24999322.0000 46819.0000000 373.000000000 108191.000000 94479.0000000 109243.000000 147036.000000 74606.0000000 62475.0000000 72010.0000000 97746.0000000 116.000000000 369.000000000 256.000000000 337.000000000 39994154.0000 39994154.0000 39994154.0000 39994154.0000 1.01797800000 1.01519100000 1.02029900000 1.02414400000
- 5407.52218900 0.00311953589 1122.50692600 10592220.0000 24999423.0000 46783.0000000 373.000000000 108580.000000 93960.0000000 108334.000000 146441.000000 75014.0000000 62316.0000000 71243.0000000 97599.0000000 123.000000000 344.000000000 293.000000000 341.000000000 39994316.0000 39994316.0000 39994316.0000 39994316.0000 1.01802900000 1.01510400000 1.02012500000 1.02403800000
- 5410.02137800 0.00027723940 1113.00242500 10582260.0000 24999490.0000 46863.0000000 373.000000000 107583.000000 93825.0000000 107978.000000 146752.000000 73979.0000000 62192.0000000 71063.0000000 97653.0000000 101.000000000 382.000000000 305.000000000 304.000000000 39994423.0000 39994423.0000 39994423.0000 39994423.0000 1.01786600000 1.01508000000 1.02005500000 1.02408100000
- 5412.51938500 -0.00066885771 1115.03223200 10631094.0000 24999333.0000 46812.0000000 372.000000000 108480.000000 94394.0000000 108649.000000 147576.000000 75040.0000000 62831.0000000 71454.0000000 98083.0000000 104.000000000 408.000000000 282.000000000 300.000000000 39994172.0000 39994172.0000 39994172.0000 39994172.0000 1.01803000000 1.01517900000 1.02019000000 1.02423500000
- 5415.01987800 -0.00172651034 1108.04558300 10597016.0000 24999424.0000 46775.0000000 373.000000000 107885.000000 94147.0000000 108854.000000 147673.000000 74456.0000000 62408.0000000 71620.0000000 98704.0000000 103.000000000 386.000000000 283.000000000 315.000000000 39994318.0000 39994318.0000 39994318.0000 39994318.0000 1.01792600000 1.01513400000 1.02022200000 1.02423700000
- 5417.52194000 -0.02059767820 1054.06481700 10595253.0000 24999316.0000 46837.0000000 373.000000000 107616.000000 93693.0000000 108283.000000 147050.000000 74315.0000000 62107.0000000 71179.0000000 97737.0000000 96.0000000000 355.000000000 267.000000000 316.000000000 39994146.0000 39994146.0000 39994146.0000 39994146.0000 1.01788300000 1.01506400000 1.02011900000 1.02414100000
- 5420.02189100 0.00347846678 1105.70235400 10443750.0000 24999525.0000 46772.0000000 373.000000000 106662.000000 92261.0000000 106755.000000 145399.000000 73536.0000000 61314.0000000 70462.0000000 96728.0000000 104.000000000 376.000000000 285.000000000 320.000000000 39994480.0000 39994480.0000 39994480.0000 39994480.0000 1.01771100000 1.01483000000 1.01982600000 1.02385600000
- 5422.52248500 -0.00351042887 1091.58495200 10499363.0000 24999424.0000 46759.0000000 373.000000000 106887.000000 92735.0000000 107344.000000 145527.000000 73677.0000000 61522.0000000 70563.0000000 97149.0000000 89.0000000000 371.000000000 282.000000000 329.000000000 39994318.0000 39994318.0000 39994318.0000 39994318.0000 1.01774600000 1.01490300000 1.01993500000 1.02387500000
- 5425.02279700 0.02203509725 1160.83367800 10481894.0000 24999376.0000 46689.0000000 372.000000000 106758.000000 92786.0000000 107258.000000 145273.000000 73920.0000000 61580.0000000 70546.0000000 96505.0000000 96.0000000000 407.000000000 281.000000000 355.000000000 39994241.0000 39994241.0000 39994241.0000 39994241.0000 1.01773200000 1.01491500000 1.01992100000 1.02384000000
- 5427.52190000 -0.01398507105 1047.42507100 10361187.0000 24999705.0000 46740.0000000 373.000000000 105693.000000 92234.0000000 106263.000000 143644.000000 72559.0000000 61179.0000000 69585.0000000 95565.0000000 86.0000000000 374.000000000 263.000000000 305.000000000 39994767.0000 39994767.0000 39994767.0000 39994767.0000 1.01754200000 1.01481800000 1.01972900000 1.02356000000
- 5430.02163400 0.01030499260 1116.87327200 10386054.0000 24999118.0000 46691.0000000 373.000000000 106753.000000 92367.0000000 106670.000000 144488.000000 73679.0000000 61436.0000000 69991.0000000 96329.0000000 108.000000000 387.000000000 268.000000000 333.000000000 39993827.0000 39993827.0000 39993827.0000 39993827.0000 1.01773600000 1.01485100000 1.01981600000 1.02372300000
- 5432.52292300 0.00843261627 1105.69825900 10333982.0000 24999448.0000 46736.0000000 373.000000000 105122.000000 91673.0000000 105967.000000 143750.000000 72539.0000000 60666.0000000 69411.0000000 95656.0000000 104.000000000 356.000000000 281.000000000 344.000000000 39994356.0000 39994356.0000 39994356.0000 39994356.0000 1.01745400000 1.01473000000 1.01967500000 1.02357700000
- 5435.02299000 -0.01424452870 1041.25647100 10319386.0000 24999387.0000 46663.0000000 372.000000000 105814.000000 91575.0000000 106216.000000 143292.000000 72825.0000000 60800.0000000 69986.0000000 95483.0000000 87.0000000000 370.000000000 265.000000000 300.000000000 39994258.0000 39994258.0000 39994258.0000 39994258.0000 1.01757300000 1.01471900000 1.01972600000 1.02351400000
- 5437.52182600 0.00543888832 1096.37677500 10331691.0000 24999286.0000 46662.0000000 373.000000000 105117.000000 91688.0000000 105410.000000 143207.000000 72693.0000000 61020.0000000 69321.0000000 95140.0000000 91.0000000000 382.000000000 258.000000000 345.000000000 39994097.0000 39994097.0000 39994097.0000 39994097.0000 1.01746300000 1.01473700000 1.01957600000 1.02350000000
- 5440.02128100 0.01781142606 1125.74112100 10291919.0000 24999549.0000 46766.0000000 373.000000000 104402.000000 91101.0000000 106072.000000 142887.000000 71862.0000000 60385.0000000 69657.0000000 95087.0000000 92.0000000000 403.000000000 280.000000000 330.000000000 39994518.0000 39994518.0000 39994518.0000 39994518.0000 1.01733700000 1.01463900000 1.01969300000 1.02343200000
- 5442.52228100 0.01599263191 1124.97347500 10334524.0000 24999352.0000 46701.0000000 373.000000000 105572.000000 91528.0000000 106174.000000 143772.000000 72638.0000000 60670.0000000 69856.0000000 95626.0000000 102.000000000 361.000000000 320.000000000 321.000000000 39994202.0000 39994202.0000 39994202.0000 39994202.0000 1.01752500000 1.01470700000 1.01971300000 1.02357800000
- 5445.02389800 -0.00907247985 1052.33854600 10304420.0000 24999411.0000 46709.0000000 373.000000000 104646.000000 91651.0000000 105350.000000 142610.000000 72331.0000000 60829.0000000 69417.0000000 95170.0000000 101.000000000 376.000000000 251.000000000 305.000000000 39994297.0000 39994297.0000 39994297.0000 39994297.0000 1.01737600000 1.01472800000 1.01956200000 1.02339600000
- 5447.52333700 0.01855353378 1111.41239800 10153580.0000 24999412.0000 46772.0000000 373.000000000 103554.000000 89782.0000000 104671.000000 140245.000000 71423.0000000 59506.0000000 68814.0000000 93258.0000000 74.0000000000 365.000000000 312.000000000 340.000000000 39994299.0000 39994299.0000 39994299.0000 39994299.0000 1.01717900000 1.01442000000 1.01942600000 1.02299100000
- 5450.02245100 -0.00302365299 1059.82061400 10223967.0000 24999478.0000 46796.0000000 373.000000000 104334.000000 90266.0000000 104622.000000 141774.000000 72076.0000000 59926.0000000 69234.0000000 94312.0000000 104.000000000 301.000000000 290.000000000 345.000000000 39994404.0000 39994404.0000 39994404.0000 39994404.0000 1.01732000000 1.01450400000 1.01942200000 1.02325000000
- 5452.37577100 0.01689785117 1106.29140200 10154943.0000 24999297.0000 46863.0000000 373.000000000 103891.000000 90474.0000000 104556.000000 141153.000000 71751.0000000 60006.0000000 68991.0000000 94027.0000000 90.0000000000 370.000000000 302.000000000 324.000000000 39994114.0000 39994114.0000 39994114.0000 39994114.0000 1.01724400000 1.01453500000 1.01940800000 1.02314900000
- 5454.13963000 0.00112811026 1055.08779900 10076919.0000 24999514.0000 46746.0000000 372.000000000 102605.000000 88947.0000000 103174.000000 139553.000000 70916.0000000 58597.0000000 67930.0000000 93160.0000000 92.0000000000 361.000000000 261.000000000 322.000000000 39994461.0000 39994461.0000 39994461.0000 39994461.0000 1.01702600000 1.01428800000 1.01914700000 1.02287600000
- 5455.02342100 0.02234571970 1120.58053000 10154464.0000 24999298.0000 46759.0000000 373.000000000 103481.000000 89577.0000000 104256.000000 140911.000000 71560.0000000 59412.0000000 68420.0000000 93688.0000000 81.0000000000 381.000000000 274.000000000 364.000000000 39994116.0000 39994116.0000 39994116.0000 39994116.0000 1.01717000000 1.01438800000 1.01934800000 1.02309500000
- 5455.32306500 0.01038277696 1101.28418600 10277469.0000 24999543.0000 46689.0000000 374.000000000 103856.000000 91085.0000000 105829.000000 142068.000000 71786.0000000 60249.0000000 69609.0000000 94281.0000000 94.0000000000 374.000000000 299.000000000 314.000000000 39994508.0000 39994508.0000 39994508.0000 39994508.0000 1.01724500000 1.01463400000 1.01964600000 1.02329900000
- 5455.47616700 0.00173309826 1074.92418000 10252634.0000 24999322.0000 46720.0000000 372.000000000 103551.000000 91030.0000000 105164.000000 142333.000000 71301.0000000 60472.0000000 69056.0000000 94900.0000000 102.000000000 347.000000000 273.000000000 333.000000000 39994154.0000 39994154.0000 39994154.0000 39994154.0000 1.01718800000 1.01462100000 1.01952000000 1.02332900000
- 5455.62834600 0.02203766999 1139.06079800 10330525.0000 24999418.0000 46781.0000000 373.000000000 105733.000000 91162.0000000 105913.000000 143553.000000 72963.0000000 60588.0000000 69658.0000000 95506.0000000 94.0000000000 396.000000000 304.000000000 324.000000000 39994308.0000 39994308.0000 39994308.0000 39994308.0000 1.01755700000 1.01465100000 1.01966700000 1.02354900000
- 5455.77866600 0.00864175613 1102.53007000 10334618.0000 24999399.0000 46750.0000000 373.000000000 105167.000000 91576.0000000 106010.000000 143563.000000 72595.0000000 60741.0000000 69681.0000000 95561.0000000 89.0000000000 379.000000000 274.000000000 340.000000000 39994278.0000 39994278.0000 39994278.0000 39994278.0000 1.01746100000 1.01471500000 1.01968400000 1.02354600000
- 5455.92899500 0.03354733738 1172.70839800 10347784.0000 24999496.0000 46716.0000000 373.000000000 105590.000000 91839.0000000 106408.000000 144098.000000 73024.0000000 60981.0000000 70001.0000000 95881.0000000 87.0000000000 421.000000000 318.000000000 325.000000000 39994433.0000 39994433.0000 39994433.0000 39994433.0000 1.01753700000 1.01476100000 1.01976100000 1.02364400000
- 5456.07933300 -0.00850619753 1057.81064500 10360461.0000 24999340.0000 46772.0000000 372.000000000 105288.000000 91653.0000000 106432.000000 144214.000000 72430.0000000 60726.0000000 69800.0000000 96073.0000000 91.0000000000 343.000000000 287.000000000 317.000000000 39994184.0000 39994184.0000 39994184.0000 39994184.0000 1.01748100000 1.01472800000 1.01976000000 1.02365000000
- 5456.23061400 0.00724859146 1100.42958800 10351712.0000 24999477.0000 46785.0000000 373.000000000 105470.000000 91710.0000000 105653.000000 144295.000000 72555.0000000 60671.0000000 69526.0000000 95875.0000000 100.000000000 381.000000000 277.000000000 322.000000000 39994402.0000 39994402.0000 39994402.0000 39994402.0000 1.01752400000 1.01474200000 1.01962400000 1.02367900000
- 5456.38097000 -0.00464529992 1070.92274600 10384542.0000 24999292.0000 46811.0000000 373.000000000 105766.000000 92136.0000000 106118.000000 144126.000000 72930.0000000 60934.0000000 69825.0000000 96113.0000000 103.000000000 369.000000000 264.000000000 315.000000000 39994107.0000 39994107.0000 39994107.0000 39994107.0000 1.01756600000 1.01480700000 1.01970500000 1.02364300000
- 5456.52946700 -0.00319489424 1071.83649700 10354762.0000 24999477.0000 46808.0000000 373.000000000 105361.000000 91370.0000000 106059.000000 143424.000000 72712.0000000 60739.0000000 69765.0000000 95684.0000000 85.0000000000 380.000000000 271.000000000 316.000000000 39994402.0000 39994402.0000 39994402.0000 39994402.0000 1.01749300000 1.01468200000 1.01969200000 1.02352500000
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- 5615.33428300 0.89474703641 3056.17379700 8970280.00000 24999459.0000 46979.0000000 373.000000000 91914.0000000 80187.0000000 92045.0000000 125160.000000 62991.0000000 52786.0000000 60174.0000000 82810.0000000 567.000000000 768.000000000 747.000000000 924.000000000 39994373.0000 39994373.0000 39994373.0000 39994373.0000 1.01523400000 1.01286400000 1.01705300000 1.02047400000
- 5618.22136700 0.88229021171 2994.67605800 8877619.00000 24999406.0000 46998.0000000 373.000000000 90642.0000000 78666.0000000 91216.0000000 123005.000000 62155.0000000 51871.0000000 60069.0000000 81373.0000000 594.000000000 698.000000000 725.000000000 929.000000000 39994289.0000 39994289.0000 39994289.0000 39994289.0000 1.01502300000 1.01262100000 1.01689600000 1.02012200000
- 5621.13452700 0.87113040617 2958.66583100 8850242.00000 24999429.0000 46923.0000000 373.000000000 90812.0000000 78261.0000000 90467.0000000 122942.000000 62062.0000000 51660.0000000 59552.0000000 81413.0000000 578.000000000 735.000000000 717.000000000 881.000000000 39994326.0000 39994326.0000 39994326.0000 39994326.0000 1.01505000000 1.01255800000 1.01675800000 1.02011500000
- 5624.07185300 0.90050576395 3034.74480500 8870965.00000 24999406.0000 46932.0000000 373.000000000 90107.0000000 78816.0000000 90676.0000000 123187.000000 61634.0000000 51860.0000000 59410.0000000 81408.0000000 629.000000000 762.000000000 717.000000000 878.000000000 39994289.0000 39994289.0000 39994289.0000 39994289.0000 1.01492900000 1.01264000000 1.01679200000 1.02014000000
- 5627.03840800 0.88428086816 2989.38325400 8851655.00000 24999345.0000 46951.0000000 373.000000000 90312.0000000 78857.0000000 90603.0000000 122251.000000 61873.0000000 52068.0000000 59326.0000000 80640.0000000 548.000000000 701.000000000 782.000000000 910.000000000 39994191.0000 39994191.0000 39994191.0000 39994191.0000 1.01496300000 1.01264800000 1.01678100000 1.01999400000
- 5630.03228700 0.90759952399 3030.62635900 8812580.00000 24999562.0000 46901.0000000 373.000000000 90110.0000000 78588.0000000 90300.0000000 121800.000000 61663.0000000 51879.0000000 59255.0000000 80312.0000000 627.000000000 714.000000000 757.000000000 884.000000000 39994539.0000 39994539.0000 39994539.0000 39994539.0000 1.01492800000 1.01260300000 1.01672100000 1.01992100000
- 5633.05257800 0.81160932071 2801.17467900 8802498.00000 24999280.0000 46928.0000000 373.000000000 89182.0000000 78568.0000000 90712.0000000 122481.000000 60984.0000000 51730.0000000 59313.0000000 81258.0000000 534.000000000 664.000000000 707.000000000 851.000000000 39994088.0000 39994088.0000 39994088.0000 39994088.0000 1.01478000000 1.01260000000 1.01679800000 1.02002300000
- 5636.10036800 0.85726759143 2915.71090300 8825720.00000 24999435.0000 46960.0000000 373.000000000 90430.0000000 78278.0000000 90734.0000000 123233.000000 61919.0000000 51626.0000000 59474.0000000 81587.0000000 557.000000000 762.000000000 733.000000000 817.000000000 39994336.0000 39994336.0000 39994336.0000 39994336.0000 1.01499100000 1.01256100000 1.01680700000 1.02015900000
- 5639.17574500 0.84666131280 2869.10272500 8761019.00000 24999322.0000 46931.0000000 373.000000000 90293.0000000 78277.0000000 90800.0000000 121904.000000 61872.0000000 51916.0000000 59316.0000000 80685.0000000 545.000000000 707.000000000 724.000000000 847.000000000 39994155.0000 39994155.0000 39994155.0000 39994155.0000 1.01496300000 1.01255900000 1.01681900000 1.01994300000
- 5642.27980400 0.84082834419 2848.28875900 8740335.00000 24999573.0000 46916.0000000 372.000000000 89618.0000000 78000.0000000 89297.0000000 121252.000000 61379.0000000 51344.0000000 58738.0000000 80055.0000000 526.000000000 729.000000000 716.000000000 832.000000000 39994556.0000 39994556.0000 39994556.0000 39994556.0000 1.01485600000 1.01251500000 1.01654100000 1.01984100000
- 5645.41163500 0.86451038432 2891.89498800 8706568.00000 24999304.0000 46956.0000000 373.000000000 89241.0000000 77396.0000000 88929.0000000 120787.000000 61297.0000000 51185.0000000 58696.0000000 80023.0000000 554.000000000 706.000000000 726.000000000 860.000000000 39994126.0000 39994126.0000 39994126.0000 39994126.0000 1.01478300000 1.01241300000 1.01646800000 1.01975100000
- 5648.57032400 0.82541529381 2801.63695200 8709816.00000 24999406.0000 46976.0000000 373.000000000 88941.0000000 77687.0000000 89344.0000000 120869.000000 60950.0000000 51097.0000000 58707.0000000 79512.0000000 555.000000000 660.000000000 699.000000000 843.000000000 39994288.0000 39994288.0000 39994288.0000 39994288.0000 1.01474100000 1.01246200000 1.01654700000 1.01976800000
- 5651.75596100 0.79416609023 2700.47728500 8620240.00000 24999315.0000 46981.0000000 373.000000000 87777.0000000 76799.0000000 88657.0000000 119245.000000 60158.0000000 50822.0000000 58290.0000000 78807.0000000 491.000000000 668.000000000 680.000000000 819.000000000 39994143.0000 39994143.0000 39994143.0000 39994143.0000 1.01453300000 1.01231100000 1.01641000000 1.01948600000
- 5654.96762700 0.83555468302 2769.23535000 8539918.00000 24999898.0000 46833.0000000 373.000000000 87126.0000000 75711.0000000 87384.0000000 118626.000000 59623.0000000 49991.0000000 57439.0000000 78521.0000000 519.000000000 668.000000000 689.000000000 850.000000000 39995076.0000 39995076.0000 39995076.0000 39995076.0000 1.01443600000 1.01214300000 1.01617800000 1.01939400000
- 5658.20844000 0.85118416070 2802.72655000 8534738.00000 24999082.0000 46861.0000000 373.000000000 87106.0000000 76198.0000000 87259.0000000 118169.000000 59661.0000000 50343.0000000 57290.0000000 78232.0000000 508.000000000 692.000000000 683.000000000 876.000000000 39993771.0000 39993771.0000 39993771.0000 39993771.0000 1.01442300000 1.01221500000 1.01615000000 1.01931100000
- 5661.47748900 0.85433503213 2796.30410700 8494764.00000 24999381.0000 46826.0000000 373.000000000 86798.0000000 75455.0000000 87105.0000000 117678.000000 59612.0000000 50177.0000000 56843.0000000 77873.0000000 530.000000000 710.000000000 641.000000000 872.000000000 39994249.0000 39994249.0000 39994249.0000 39994249.0000 1.01436900000 1.01209600000 1.01612100000 1.01922800000
- 5664.77284600 0.83210977656 2719.66430400 8414950.00000 24999340.0000 46902.0000000 373.000000000 85625.0000000 74562.0000000 86231.0000000 116220.000000 58566.0000000 49437.0000000 56443.0000000 76840.0000000 521.000000000 656.000000000 679.000000000 822.000000000 39994184.0000 39994184.0000 39994184.0000 39994184.0000 1.01417400000 1.01195100000 1.01595600000 1.01898500000
- 5668.09561600 0.80538577362 2613.39505700 8270039.00000 24999597.0000 46811.0000000 373.000000000 83937.0000000 73673.0000000 84786.0000000 114357.000000 57440.0000000 48634.0000000 55671.0000000 75953.0000000 497.000000000 632.000000000 655.000000000 790.000000000 39994595.0000 39994595.0000 39994595.0000 39994595.0000 1.01389500000 1.01180600000 1.01568400000 1.01867700000
- 5671.44589400 0.83951840504 2654.41021900 8165752.00000 24999316.0000 46847.0000000 373.000000000 82834.0000000 72474.0000000 83327.0000000 112821.000000 56761.0000000 47949.0000000 54824.0000000 74754.0000000 519.000000000 628.000000000 680.000000000 788.000000000 39994145.0000 39994145.0000 39994145.0000 39994145.0000 1.01371300000 1.01161500000 1.01541300000 1.01842400000
- 5674.82377500 0.81699659204 2617.88265100 8206519.00000 24999352.0000 46829.0000000 374.000000000 83319.0000000 72433.0000000 83175.0000000 112489.000000 57069.0000000 47807.0000000 54706.0000000 74408.0000000 492.000000000 638.000000000 642.000000000 807.000000000 39994203.0000 39994203.0000 39994203.0000 39994203.0000 1.01378500000 1.01160500000 1.01538300000 1.01836500000
- 5678.22834100 0.82433304773 2623.49499800 8175305.00000 24999418.0000 46890.0000000 373.000000000 82452.0000000 71948.0000000 83130.0000000 112366.000000 56645.0000000 47534.0000000 54820.0000000 74415.0000000 544.000000000 654.000000000 641.000000000 746.000000000 39994308.0000 39994308.0000 39994308.0000 39994308.0000 1.01364200000 1.01152700000 1.01537200000 1.01834000000
- 5681.66172200 0.83111456020 2647.15046100 8204130.00000 24999453.0000 46879.0000000 373.000000000 82885.0000000 72390.0000000 83228.0000000 112841.000000 57013.0000000 47986.0000000 55036.0000000 74917.0000000 505.000000000 657.000000000 675.000000000 771.000000000 39994363.0000 39994363.0000 39994363.0000 39994363.0000 1.01372100000 1.01160200000 1.01539500000 1.01842700000
- 5685.12300100 0.81362573515 2574.53008000 8097608.00000 24999334.0000 46867.0000000 373.000000000 81678.0000000 71173.0000000 82113.0000000 111219.000000 55940.0000000 47301.0000000 54102.0000000 73998.0000000 519.000000000 625.000000000 644.000000000 749.000000000 39994173.0000 39994173.0000 39994173.0000 39994173.0000 1.01352300000 1.01140700000 1.01518700000 1.01816000000
- 5688.60921600 0.77870990234 2498.61585800 8097642.00000 24999424.0000 46933.0000000 373.000000000 81843.0000000 71327.0000000 82419.0000000 111227.000000 56315.0000000 47040.0000000 54314.0000000 73903.0000000 475.000000000 609.000000000 616.000000000 762.000000000 39994318.0000 39994318.0000 39994318.0000 39994318.0000 1.01354000000 1.01142800000 1.01524200000 1.01815700000
- 5692.12454400 0.80542095139 2570.43546000 8143677.00000 24999460.0000 46953.0000000 373.000000000 81923.0000000 71628.0000000 82092.0000000 111321.000000 56153.0000000 47512.0000000 53988.0000000 73986.0000000 523.000000000 628.000000000 663.000000000 719.000000000 39994375.0000 39994375.0000 39994375.0000 39994375.0000 1.01356100000 1.01147800000 1.01518300000 1.01817600000
- 5695.66807000 0.79070287184 2529.54415200 8116606.00000 24999387.0000 46955.0000000 374.000000000 82156.0000000 71272.0000000 81484.0000000 110618.000000 56435.0000000 47211.0000000 53510.0000000 73228.0000000 514.000000000 644.000000000 644.000000000 691.000000000 39994258.0000 39994258.0000 39994258.0000 39994258.0000 1.01360000000 1.01142500000 1.01507500000 1.01807200000
- 5699.23579300 0.80277361972 2570.69238700 8165693.00000 24999454.0000 47016.0000000 373.000000000 82152.0000000 71948.0000000 81871.0000000 111585.000000 56198.0000000 47561.0000000 53976.0000000 73887.0000000 512.000000000 615.000000000 641.000000000 765.000000000 39994366.0000 39994366.0000 39994366.0000 39994366.0000 1.01359500000 1.01152800000 1.01514200000 1.01821700000
- 5702.83293600 0.82855894103 2592.29641600 8059556.00000 24999316.0000 46943.0000000 374.000000000 80741.0000000 70560.0000000 81005.0000000 110369.000000 55531.0000000 46890.0000000 53381.0000000 73303.0000000 476.000000000 675.000000000 655.000000000 749.000000000 39994145.0000 39994145.0000 39994145.0000 39994145.0000 1.01336200000 1.01130500000 1.01497900000 1.01801600000
- 5706.45857900 0.80302070119 2531.57724300 8042688.00000 24999454.0000 46981.0000000 373.000000000 80890.0000000 70333.0000000 81054.0000000 109729.000000 55796.0000000 46584.0000000 53441.0000000 72758.0000000 460.000000000 623.000000000 646.000000000 766.000000000 39994366.0000 39994366.0000 39994366.0000 39994366.0000 1.01338400000 1.01126900000 1.01498600000 1.01791000000
- 5710.10974000 0.78820281887 2460.89969900 7919126.00000 24999411.0000 46994.0000000 374.000000000 79462.0000000 69163.0000000 79850.0000000 108251.000000 54447.0000000 45999.0000000 52302.0000000 71998.0000000 503.000000000 592.000000000 616.000000000 715.000000000 39994297.0000 39994297.0000 39994297.0000 39994297.0000 1.01315000000 1.01108100000 1.01476200000 1.01766700000
- 5713.78960700 0.78914774041 2442.12849000 7853821.00000 24999484.0000 46980.0000000 374.000000000 78690.0000000 68458.0000000 78487.0000000 106994.000000 53971.0000000 45281.0000000 51497.0000000 71189.0000000 472.000000000 613.000000000 619.000000000 704.000000000 39994414.0000 39994414.0000 39994414.0000 39994414.0000 1.01301300000 1.01096400000 1.01450600000 1.01745200000
- 5717.49725400 0.78019738898 2443.40839200 7920295.00000 24999388.0000 46941.0000000 373.000000000 78845.0000000 68866.0000000 78857.0000000 106939.000000 54028.0000000 45544.0000000 51737.0000000 71008.0000000 482.000000000 576.000000000 622.000000000 729.000000000 39994260.0000 39994260.0000 39994260.0000 39994260.0000 1.01303300000 1.01102500000 1.01457200000 1.01743800000
- 5721.22968500 0.74746869360 2348.85015000 7837248.00000 24999321.0000 47031.0000000 374.000000000 78223.0000000 68045.0000000 78312.0000000 105953.000000 53619.0000000 45068.0000000 51439.0000000 70422.0000000 472.000000000 554.000000000 565.000000000 725.000000000 39994153.0000 39994153.0000 39994153.0000 39994153.0000 1.01293600000 1.01089700000 1.01447300000 1.01728300000
- 5724.99113300 0.76971407475 2363.41385400 7734134.00000 24999514.0000 46944.0000000 374.000000000 76947.0000000 66992.0000000 77323.0000000 104630.000000 52817.0000000 44447.0000000 50839.0000000 69656.0000000 456.000000000 579.000000000 622.000000000 674.000000000 39994463.0000 39994463.0000 39994463.0000 39994463.0000 1.01273200000 1.01073200000 1.01429000000 1.01707100000
- 5728.78171100 0.77828605559 2399.93362300 7796792.00000 24999328.0000 46922.0000000 373.000000000 77130.0000000 67510.0000000 76886.0000000 104916.000000 52824.0000000 45035.0000000 50317.0000000 69492.0000000 492.000000000 593.000000000 578.000000000 704.000000000 39994164.0000 39994164.0000 39994164.0000 39994164.0000 1.01275100000 1.01080700000 1.01420600000 1.01710300000
- 5732.59737700 0.76190022761 2339.81536200 7712602.00000 24999429.0000 46952.0000000 374.000000000 76531.0000000 66656.0000000 75954.0000000 103331.000000 52638.0000000 44128.0000000 49939.0000000 68344.0000000 470.000000000 554.000000000 592.000000000 692.000000000 39994325.0000 39994325.0000 39994325.0000 39994325.0000 1.01264600000 1.01066900000 1.01403000000 1.01684300000
diff --git a/conversion_examples/MultiElementFluor/V_XANES_ap9_new.001 b/conversion_examples/MultiElementFluor/V_XANES_ap9_new.001
deleted file mode 100644
index e102fc2..0000000
--- a/conversion_examples/MultiElementFluor/V_XANES_ap9_new.001
+++ /dev/null
@@ -1,460 +0,0 @@
-# XDI/1.1
-# Column.1: energy eV
-# Column.2: norm
-# Column.3: ifluor
-# Column.4: i0
-# Column.5: tscaler
-# Column.6: i1
-# Column.7: i2
-# Column.8: outputcounts_mca1
-# Column.9: outputcounts_mca2
-# Column.10: outputcounts_mca3
-# Column.11: outputcounts_mca4
-# Column.12: ca_ka_mca1
-# Column.13: ca_ka_mca2
-# Column.14: ca_ka_mca3
-# Column.15: ca_ka_mca4
-# Column.16: v_ka_mca1
-# Column.17: v_ka_mca2
-# Column.18: v_ka_mca3
-# Column.19: v_ka_mca4
-# Column.20: clock_mca1
-# Column.21: clock_mca2
-# Column.22: clock_mca3
-# Column.23: clock_mca4
-# Column.24: dtfactor_mca1
-# Column.25: dtfactor_mca2
-# Column.26: dtfactor_mca3
-# Column.27: dtfactor_mca4
-# Legend.End: here
-# Scan.end_time: 2018-11-27 07:31:19
-# ExtraPVs.Start: Family.Member: Value | PV
-# Beamline.FOE_Slit_HPos: 0.0250 || 13IDA:m5.VAL
-# Beamline.FOE_Slit_HWid: 0.8000 || 13IDA:m6.VAL
-# Beamline.FOE_Slit_VPos: -0.1250 || 13IDA:m7.VAL
-# Beamline.FOE_Slit_VWid: 0.2500 || 13IDA:m8.VAL
-# Beamline.FluxEstimate: 1.416e+12 || 13XRM:ION:FluxOut.VAL
-# Beamline.I0_Sensitivity_Number: 100 || 13IDE:A1sens_num.VAL
-# Beamline.I0_Sensitivity_Unit: nA/V || 13IDE:A1sens_unit.VAL
-# Beamline.I1_Sensitivity_Number: 200 || 13IDE:A2sens_num.VAL
-# Beamline.I1_Sensitivity_Unit: nA/V || 13IDE:A2sens_unit.VAL
-# Beamline.I2_Sensitivity_Number: 20 || 13IDE:A3sens_num.VAL
-# Beamline.I2_Sensitivity_Unit: nA/V || 13IDE:A3sens_unit.VAL
-# Beamline.SSA_Slit_HPos: 0 || 13IDA:m69.VAL
-# Beamline.SSA_Slit_HWid: 0.0500 || 13IDA:m70.VAL
-# Beamline.SSA_Slit_VPos: 0.7500 || 13IDA:m71.VAL
-# Beamline.SSA_Slit_VWid: 0.3000 || 13IDA:m72.VAL
-# DetectorStage.X: 15380.0 || 13IDE:m34.VAL
-# DetectorStage.Y: 291.740 || 13IDE:m4.VAL
-# DetectorStage.Z: 125.0000 || 13IDE:m19.VAL
-# Facility.Ring_Current: 86.6 || S:SRcurrentAI.VAL
-# Facility.Ring_Lifetime: 81.3 || S:SRlifeTimeHrsCC.VAL
-# Monochromator.d_spacing: 3.13477 || 13IDE:En:dspace.VAL
-# Monochromator.height: 24.90000 || 13IDE:En:height.VAL
-# Monochromator.theta_offset: 17.54913 || 13IDA:m65.OFF
-# Monochromator.xtal2_pitch: -0.1160 || 13IDA:m67.VAL
-# Monochromator.xtal2_rol: 1.0400 || 13IDA:m68.VAL
-# Monochromator.xtal2_y: 13.3075 || 13IDA:m66.VAL
-# Monochromator.xtal2_y_off: 11.6000 || 13IDA:m66.OFF
-# SampleStage.CoarseX: 130.7285 || 13XRM:m4.VAL
-# SampleStage.CoarseY: 89.3002 || 13XRM:m5.VAL
-# SampleStage.CoarseZ: 211.0609 || 13XRM:m6.VAL
-# SampleStage.FineX: -0.42001 || 13XRM:m1.VAL
-# SampleStage.FineY: -0.02400 || 13XRM:m2.VAL
-# SampleStage.Theta: 0 || 13XRM:m3.VAL
-# Undulator.Energy: 5.764 || ID13us:Energy.VAL
-# Monochromator.Energy: 5600.00000 || 13IDE:En:Energy.VAL
-# ExtraPVs.End: here
-# ScanParameters.Start: Scan.Member: Value
-# ScanParameters.ScanType: xafs
-# ScanParameters.element: V
-# ScanParameters.edge: K
-# ScanParameters.E0: 5465.000
-# ScanParameters.Legend: Start, Stop, Step, K-space, Time
-# ScanParameters.Region1: -100.000, -10.000, 2.500 False 0.50
-# ScanParameters.Region2: -10.000, 25.008, 0.150 False 0.50
-# ScanParameters.Region3: 2.562, 8.500, 0.060 True 0.50
-# ScanParameters.End: here
-# Process.program: xraylarch
-# Process.version: 0.9.80
-# Process.command: pre_edge(data, nvict=0, pre1=-150, pre2=-50, norm1=150, norm2=750, make_flat=True)
-# Process.step1: using col1..col27 for 27 from arrays in rawdata
-# Process.step2: energy = col1 # column 1: energy (eV)
-# Process.step3: i0 = col4 # column 4: incident beam intensity
-# Process.step4: # fluorescence: sum 4 channels, with deadtime corection from columns in the data
-# Process.step5: ifluor = col16*col24+col17*col25+col18*col26+col19*col27
-# Process.step6: mu = iflour/i0
-# Process.step7: edge_step = 0.010570733
-# Process.step8: pre_edge = -0.001085008 + 2.218800e-7*energy
-# Process.step9: intensity = norm = (mu - pre_edge) /edge_step
-# /// Users Comments ///
-#
-#---------------------------------
-# energy norm ifluor i0 tscaler i1 i2 outputcounts_mca1 outputcounts_mca2 outputcounts_mca3 outputcounts_mca4 ca_ka_mca1 ca_ka_mca2 ca_ka_mca3 ca_ka_mca4 v_ka_mca1 v_ka_mca2 v_ka_mca3 v_ka_mca4 clock_mca1 clock_mca2 clock_mca3 clock_mca4 dtfactor_mca1 dtfactor_mca2 dtfactor_mca3 dtfactor_mca4
- 5365.01803700 0.00040891402 1163.87957000 10609159.0000 24999532.0000 47066.0000000 374.000000000 106819.000000 92809.0000000 107424.000000 143706.000000 73381.0000000 61805.0000000 70972.0000000 95226.0000000 110.000000000 388.000000000 287.000000000 357.000000000 39994491.0000 39994491.0000 39994491.0000 39994491.0000 1.01772900000 1.01491300000 1.01994800000 1.02358000000
- 5367.51382100 -0.00030371850 1072.90868800 10444385.0000 24999358.0000 46987.0000000 373.000000000 105315.000000 91379.0000000 106112.000000 141275.000000 72553.0000000 60883.0000000 69759.0000000 94181.0000000 94.0000000000 357.000000000 268.000000000 334.000000000 39994213.0000 39994213.0000 39994213.0000 39994213.0000 1.01748200000 1.01468400000 1.01970300000 1.02318200000
- 5370.01572200 -0.00009812144 1080.74098500 10248428.0000 24999369.0000 46865.0000000 374.000000000 103317.000000 90684.0000000 104300.000000 138656.000000 71429.0000000 60184.0000000 68703.0000000 91810.0000000 110.000000000 356.000000000 253.000000000 342.000000000 39994230.0000 39994230.0000 39994230.0000 39994230.0000 1.01713700000 1.01456200000 1.01935500000 1.02273400000
- 5372.51562200 -6.32109221e-6 1102.15786800 10302525.0000 24999442.0000 46935.0000000 373.000000000 103981.000000 90863.0000000 104878.000000 139887.000000 71551.0000000 60540.0000000 69081.0000000 92894.0000000 100.000000000 372.000000000 287.000000000 323.000000000 39994347.0000 39994347.0000 39994347.0000 39994347.0000 1.01726300000 1.01459900000 1.01947000000 1.02295000000
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- 5678.22935800 0.90362743166 75331.9783410 7744720.00000 24999094.0000 46758.0000000 374.000000000 103164.000000 90801.0000000 102763.000000 137678.000000 52794.0000000 44877.0000000 50364.0000000 68555.0000000 17934.0000000 15756.0000000 17917.0000000 22335.0000000 39993790.0000 39993790.0000 39993790.0000 39993790.0000 1.01723400000 1.01464800000 1.01913600000 1.02271100000
- 5681.66274000 0.89782576336 74389.4934660 7695744.00000 24999304.0000 46722.0000000 375.000000000 102386.000000 89836.0000000 102108.000000 135698.000000 52495.0000000 44181.0000000 50203.0000000 67561.0000000 17740.0000000 15733.0000000 17598.0000000 21961.0000000 39994126.0000 39994126.0000 39994126.0000 39994126.0000 1.01710000000 1.01449100000 1.01901100000 1.02238500000
- 5685.12096100 0.90062175547 72753.4461390 7502955.00000 24999507.0000 46860.0000000 374.000000000 99864.0000000 87150.0000000 100179.000000 133781.000000 51335.0000000 43054.0000000 49358.0000000 66503.0000000 17308.0000000 15213.0000000 17301.0000000 21630.0000000 39994451.0000 39994451.0000 39994451.0000 39994451.0000 1.01666700000 1.01405100000 1.01864000000 1.02204000000
- 5688.61023700 0.89360288162 73440.2661430 7631570.00000 24999334.0000 46885.0000000 374.000000000 100805.000000 89463.0000000 101142.000000 135142.000000 51804.0000000 44090.0000000 49732.0000000 67394.0000000 17416.0000000 15601.0000000 17483.0000000 21611.0000000 39994174.0000 39994174.0000 39994174.0000 39994174.0000 1.01684300000 1.01443000000 1.01883000000 1.02228500000
- 5692.12556700 0.88714082088 74594.0082100 7806240.00000 24999412.0000 46801.0000000 375.000000000 102901.000000 90316.0000000 103126.000000 137945.000000 53063.0000000 44457.0000000 50845.0000000 68671.0000000 17746.0000000 15834.0000000 17672.0000000 21967.0000000 39994299.0000 39994299.0000 39994299.0000 39994299.0000 1.01719400000 1.01457100000 1.01920400000 1.02275200000
- 5695.66602200 0.88872914028 72547.2080460 7578105.00000 24999430.0000 46803.0000000 374.000000000 100165.000000 88089.0000000 99875.0000000 133863.000000 51586.0000000 43614.0000000 49295.0000000 66908.0000000 17338.0000000 15239.0000000 17195.0000000 21475.0000000 39994328.0000 39994328.0000 39994328.0000 39994328.0000 1.01673100000 1.01420700000 1.01859100000 1.02207000000
- 5699.23579300 0.88303991114 74192.3188160 7798293.00000 24999459.0000 46752.0000000 374.000000000 102689.000000 90493.0000000 102620.000000 136972.000000 52745.0000000 44695.0000000 50678.0000000 68190.0000000 17745.0000000 15594.0000000 17671.0000000 21820.0000000 39994374.0000 39994374.0000 39994374.0000 39994374.0000 1.01714900000 1.01459400000 1.01910500000 1.02258600000
- 5702.83396300 0.87686026983 73478.9040620 7776045.00000 24999334.0000 46722.0000000 374.000000000 102226.000000 90425.0000000 102114.000000 136462.000000 52567.0000000 44664.0000000 50261.0000000 67848.0000000 17441.0000000 15658.0000000 17333.0000000 21703.0000000 39994174.0000 39994174.0000 39994174.0000 39994174.0000 1.01707000000 1.01458200000 1.01901000000 1.02250200000
- 5706.45857900 0.88483649095 72030.9944280 7554765.00000 24999514.0000 46762.0000000 375.000000000 99022.0000000 87749.0000000 99002.0000000 132659.000000 50772.0000000 43260.0000000 48796.0000000 66299.0000000 17210.0000000 15241.0000000 17247.0000000 21055.0000000 39994462.0000 39994462.0000 39994462.0000 39994462.0000 1.01653000000 1.01414400000 1.01842200000 1.02185800000
- 5710.10974000 0.87729667341 72347.3527180 7651254.00000 24999483.0000 46740.0000000 374.000000000 100778.000000 88479.0000000 99631.0000000 133545.000000 51790.0000000 43778.0000000 49105.0000000 66531.0000000 17295.0000000 15347.0000000 17105.0000000 21304.0000000 39994412.0000 39994412.0000 39994412.0000 39994412.0000 1.01682700000 1.01426900000 1.01854600000 1.02202000000
- 5713.78960700 0.88355590137 72181.4045050 7580009.00000 24999466.0000 46696.0000000 374.000000000 99495.0000000 87895.0000000 99321.0000000 132794.000000 50960.0000000 43394.0000000 48860.0000000 66170.0000000 17251.0000000 15261.0000000 17184.0000000 21201.0000000 39994385.0000 39994385.0000 39994385.0000 39994385.0000 1.01661100000 1.01417000000 1.01848200000 1.02188600000
- 5717.49622100 0.88070221147 70399.5064930 7415737.00000 24999130.0000 46744.0000000 375.000000000 96935.0000000 85573.0000000 96474.0000000 129552.000000 49776.0000000 42221.0000000 47570.0000000 64739.0000000 16857.0000000 14763.0000000 16848.0000000 20711.0000000 39993847.0000 39993847.0000 39993847.0000 39993847.0000 1.01617700000 1.01379100000 1.01794300000 1.02133700000
- 5721.22968500 0.87865418157 71422.5289230 7540037.00000 24999555.0000 46703.0000000 374.000000000 98309.0000000 86698.0000000 98591.0000000 131529.000000 50578.0000000 42597.0000000 48547.0000000 65702.0000000 17081.0000000 15243.0000000 17026.0000000 20816.0000000 39994527.0000 39994527.0000 39994527.0000 39994527.0000 1.01640600000 1.01397500000 1.01834000000 1.02166700000
- 5724.99216900 0.88455621312 71131.2065950 7459494.00000 24999340.0000 46732.0000000 374.000000000 97197.0000000 85459.0000000 96543.0000000 130130.000000 49864.0000000 42116.0000000 47567.0000000 64644.0000000 16879.0000000 15141.0000000 16923.0000000 20953.0000000 39994184.0000 39994184.0000 39994184.0000 39994184.0000 1.01621900000 1.01377300000 1.01795700000 1.02143000000
- 5728.77963800 0.87959965934 70731.8917420 7457939.00000 24999472.0000 46685.0000000 374.000000000 97361.0000000 85369.0000000 96775.0000000 129750.000000 49847.0000000 41889.0000000 47888.0000000 64749.0000000 17089.0000000 15037.0000000 16574.0000000 20804.0000000 39994395.0000 39994395.0000 39994395.0000 39994395.0000 1.01625200000 1.01376400000 1.01800300000 1.02138100000
- 5732.59426200 0.87287257765 70942.2708030 7535952.00000 24999309.0000 46746.0000000 375.000000000 97827.0000000 86508.0000000 98187.0000000 130269.000000 50334.0000000 42868.0000000 48460.0000000 65119.0000000 16864.0000000 15097.0000000 17056.0000000 20684.0000000 39994134.0000 39994134.0000 39994134.0000 39994134.0000 1.01632500000 1.01394300000 1.01826500000 1.02146300000
diff --git a/conversion_examples/MultiElementFluor/V_XANES_nexus.h5 b/conversion_examples/MultiElementFluor/V_XANES_nexus.h5
deleted file mode 100644
index d8914dc..0000000
Binary files a/conversion_examples/MultiElementFluor/V_XANES_nexus.h5 and /dev/null differ
diff --git a/conversion_examples/MultiElementFluor/make_xas.py b/conversion_examples/MultiElementFluor/make_xas.py
index a9c2138..fea1c7a 100644
--- a/conversion_examples/MultiElementFluor/make_xas.py
+++ b/conversion_examples/MultiElementFluor/make_xas.py
@@ -1,12 +1,14 @@
-from nexusformat import nexus
+import json
from pathlib import Path
+
import h5py
-import json
-import numpy as np
+import numpy
from larch.xafs import pre_edge
from larch.io import read_xdi, read_ascii, write_ascii
from larch.utils import gformat
+THIS_DIRECTORY = Path(__file__).parent
+
def xdi2nexus(
filename,
@@ -16,13 +18,11 @@ def xdi2nexus(
chan1=14,
icr1=None,
ocr1=None,
- data_mode="fluorescence",
metadata=None,
):
asc = read_ascii(filename)
- dat = read_xdi(filename)
- filename = Path(filename).name
+ dat = read_xdi(str(filename))
meta = {}
for kf, vf in dat.attrs.items():
@@ -56,10 +56,7 @@ def xdi2nexus(
fluor_str.append(s)
fluor_str = "+".join(fluor_str)
- print(fluor_str)
-
dat.mu = dat.ifluor / dat.i0
- ncolumns = len(dat.array_labels) + 3
pre_edge(dat, pre1=-150, pre2=-50, norm1=150, norm2=750)
pre_offset = dat.pre_edge_details.pre_offset
@@ -80,36 +77,40 @@ def xdi2nexus(
array_labels.append(label)
coldata.append(dat.data[i, :])
- root = nxroot[entry_name] = nexus.NXentry()
-
+ root = create_nxclass(nxroot, entry_name, "NXentry", default="plot")
+ nxroot.attrs["default"] = entry_name
root["definition"] = "NXxas"
+
root["mode"] = "fluorescence"
- root["element"] = meta["element"]["symbol"]
- root["absorption_edge"] = meta["element"]["edge"]
+
root["energy"] = dat.energy
root["energy"].attrs["units"] = "eV"
root["intensity"] = dat.norm
- root.attrs["default"] = "plot"
- plot = root["plot"] = nexus.NXdata()
- plot["energy"] = root["energy"]
- plot["intensity"] = root["intensity"]
- plot.attrs["signal"] = "intensity"
- plot.attrs["axes"] = "energy"
+ element = create_nxclass(root, "element", "NXelement")
+ element["symbol"] = meta["element"]["symbol"]
+
+ edge = create_nxclass(root, "edge", "NXedge")
+ edge["name"] = meta["element"]["edge"]
+
+ plot = create_nxclass(root, "plot", "NXdata", signal="intensity", axes="energy")
+ plot["energy"] = h5py.SoftLink(root["energy"].name)
+ plot["intensity"] = h5py.SoftLink(root["intensity"].name)
plot["energy"].attrs["units"] = "eV"
plot["energy"].attrs["long_name"] = "Energy (eV)"
plot["intensity"].attrs["long_name"] = "Normalized mu(E)"
names = {}
- # sample
- sample = root["sample"] = nexus.NXsample()
+
+ # sample
+ sample = create_nxclass(root, "sample", "NXsample")
for aname, value in meta["sample"].items():
- setattr(sample, aname, value)
+ sample[aname] = value
if aname.lower() == "name":
names["sample"] = value
sample["prep"] = "unknown sample"
- # process
+ # process
kwargs = []
for k, v in dat.callargs.pre_edge.items():
if v is not None:
@@ -175,60 +176,63 @@ def xdi2nexus(
j = j[1:].strip()
header.append(j)
- root["process"] = nexus.NXprocess(
- program="xraylarch", version="0.9.80", notes=notes
- )
+ process = create_nxclass(root, "process", "NXprocess")
+ process.attrs["NX_class"] = "NXprocess"
+ process["program"] = "xraylarch"
+ process["version"] = "0.9.80"
+ nts = create_nxclass(process, "notes", "NXnote")
+ nts["data"] = notes
+ nts["type"] = "text/plain"
# rawdata
- root["rawdata"] = np.array(coldata).T
+ root["rawdata"] = numpy.array(coldata).T
root["rawdata"].attrs["array_labels"] = json.dumps(array_labels)
root["reference"] = "None"
# scan
- scan = root["scan"] = nexus.NXcollection()
- scan.headers = json.dumps(meta)
- scan.data_collector = "Tony Lanzirotti"
- scan.filename = filename
+ scan = create_nxclass(root, "scan", "NXparameters")
+ scan["headers"] = json.dumps(meta)
+ scan["data_collector"] = "Tony Lanzirotti"
+ scan["filename"] = filename.name
for key, val in meta["scan"].items():
- setattr(scan, key, val)
+ scan[key] = val
if getattr(dat, "comments", None) is not None:
- scan.comments = dat.comments
+ scan["comments"] = dat.comments
- inst = root["instrument"] = nexus.NXinstrument()
+ inst = create_nxclass(root, "instrument", "NXinstrument")
- source = inst["source"] = nexus.NXsource(
- type="Synchrotron X-ray Source", probe="x-ray"
- )
+ source = create_nxclass(inst, "source", "NXsource")
+ source["type"] = "Synchrotron X-ray Source"
+ source["probe"] = "x-ray"
if "facility" in meta:
for aname, value in meta["facility"].items():
if aname.lower() == "energy":
words = value.split(maxsplit=1)
en_value = float(words[0])
- source.energy = en_value
+ source["energy"] = en_value
if len(words) > 1:
- source.energy.attrs["units"] = words[1]
+ source["energy"].attrs["units"] = words[1]
else:
- setattr(source, aname, value)
+ source[aname] = value
if aname.lower() == "name":
names["facility"] = value
- bl = inst["beamline"] = nexus.NXcollection()
- for aname, value in meta["beamline"].items():
- setattr(bl, aname, value)
+ bl = create_nxclass(inst, "beamline", "NXparameters")
+ for aname, value in dat.attrs["beamline"].items():
+ bl[aname] = value
if aname.lower() == "name":
names["beamline"] = value
title_words = [
- names.get("sample", filename),
+ names.get("sample", filename.name),
names.get("facility", ""),
names.get("beamline", ""),
]
root["title"] = (" ".join(title_words)).strip()
- # mono
mono_meta = meta.get("monochromator", meta.get("mono", {}))
d_spacing = mono_meta.get("d_spacing", 3.14770)
mono_name = mono_meta.get("name", "Si 111")
@@ -252,61 +256,75 @@ def parse_mono_string(mono_name):
refl = (refl[0], refl[1], refl[2])
refl = [int(w.strip()) for w in refl]
- except:
+ except Exception:
refl = (1, 1, 1)
return mono_type, refl
+ monochromator = create_nxclass(inst, "monochromator", "NXmonochromator")
+ monochromator["energy"] = h5py.SoftLink(root["energy"].name)
+
+ crystal = create_nxclass(monochromator, "crystal", "NXcrystal")
mono_type, refl = parse_mono_string(mono_name)
- mono_crystal = nexus.NXcrystal(
- type=mono_type, reflection=np.array(refl), d_spacing=d_spacing
- )
+ crystal["type"] = mono_type
+ crystal["reflection"] = numpy.array(refl)
+ crystal["d_spacing"] = d_spacing
- inst["monochromator"] = nexus.NXmonochromator(
- energy=root["energy"], crystal=mono_crystal
- )
+ i0 = create_nxclass(inst, "i0", "NXdetector")
+ i0["data"] = dat.i0
+ i0["description"] = "Ion Chamber"
- inst["i0"] = nexus.NXdetector(data=dat.i0, description="Ion Chamber")
- inst["ifluor"] = nexus.NXdetector(
- data=dat.ifluor, description="ME-4 Fluorescence Detector"
- )
+ ifluor = create_nxclass(inst, "ifluor", "NXdetector")
+ ifluor["data"] = dat.ifluor
+ ifluor["description"] = "ME-4 Fluorescence Detector"
- fpath = Path(filename)
- outfile = fpath.stem + "_new" + fpath.suffix
+ outfile = filename.parent / (filename.stem + "_new" + filename.suffix)
write_ascii(outfile, *coldata, header=header, label=collabel)
- print(f"done. Wrote group {entry_name} and file {outfile}")
+ print(f"done. Wrote group {entry_name} in file {outfile}")
-################
+def create_nxclass(root, name, nx_class, **attrs):
+ """Create NeXus class instance with attributes."""
+ child = root.create_group(name)
+ child.attrs["NX_class"] = nx_class
+ for name, value in attrs.items():
+ child.attrs[name] = value
+ return child
-metadata = {
- "sample": {"name": "apophyllite"},
- "element": {"symbol": "V", "edge": "K"},
- "mono": {"crystal": "Si 111", "d_spacing": 3.13477},
- "facility": {"name": "APS", "beamline": "13-ID-E"},
- "detector": {"i0": "20 cm, He", "ifluor": "Vortex ME-4"},
-}
-call_kws = dict(nchans=4, chan1=14, icr1=22, ocr1=None, metadata=metadata)
+def main(output_filename):
+ with h5py.File(output_filename, "w") as nxroot:
+ metadata = {
+ "sample": {"name": "apophyllite"},
+ "element": {"symbol": "V", "edge": "K"},
+ "mono": {"crystal": "Si 111", "d_spacing": 3.13477},
+ "facility": {"name": "APS", "beamline": "13-ID-E"},
+ "detector": {"i0": "20 cm, He", "ifluor": "Vortex ME-4"},
+ }
-nxroot = nexus.nxopen("V_XANES_nexus.h5", "w")
+ call_kws = dict(nchans=4, chan1=14, icr1=22, ocr1=None, metadata=metadata)
+
+ entry_name = "V_XANES"
+
+ nxroot.attrs["default"] = entry_name
+
+ for det_nr in range(1, 13):
+ det_name = f"ap{det_nr}"
+ fname = f"V_XANES_{det_name}.001"
+ entry_name = f"V_XANES_{det_name}"
+
+ nxentry = create_nxclass(nxroot, entry_name, "NXentry", default="plot")
+ nxroot.attrs["default"] = entry_name
+
+ xdi2nexus(
+ THIS_DIRECTORY / fname,
+ nxentry,
+ entry_name=entry_name,
+ **call_kws,
+ )
-for fname in (
- "V_XANES_ap1.001",
- "V_XANES_ap2.001",
- "V_XANES_ap3.001",
- "V_XANES_ap4.001",
- "V_XANES_ap5.001",
- "V_XANES_ap6.001",
- "V_XANES_ap7.001",
- "V_XANES_ap8.001",
- "V_XANES_ap9.001",
- "V_XANES_ap10.001",
- "V_XANES_ap11.001",
- "V_XANES_ap12.001",
-):
- entry_name = fname.replace(".001", "")
- xdi2nexus(fname, nxroot, entry_name=entry_name, **call_kws)
+if __name__ == "__main__":
+ main(THIS_DIRECTORY / ".." / ".." / "nxxas_examples" / f"{THIS_DIRECTORY.name}.h5")
diff --git a/conversion_examples/README b/conversion_examples/README
index dc214e0..1a3cefe 100644
--- a/conversion_examples/README
+++ b/conversion_examples/README
@@ -47,5 +47,13 @@ KEK_PF: 1 data file from Photon Factory, KEK. Fluorescence XAFS,
MultiElementFluor: 12 data files (XDI-ish) for V K-edge fluorescence XAFS
using a 4-element detector. The original files have columns saved
for "V Ka" and a "Dead-time Correction Factor" for MCAs 1 through 4.
- The script sums the deadtime-corrected chanbels to make "ifluor".
+ The script sums the deadtime-corrected channels to make "ifluor".
V_XANES_nexus.h5
+
+BlissMultiModal: HDF5 EXAFS data at the As K-edge in transmission and fluorescene.
+ Multiple EXAFS channels are recorded at the same time.
+ - energy_enc: energy in keV
+ - p201_1_bkg_sub: I0
+ - p201_3_bkg_sub: I1
+ - p201_5_bkg_sub: I2
+ - xmapd16_det: MCA with "roi1" as the fluorescence signal of interest
diff --git a/doc/_ext/myhdf5_inline_role.py b/doc/_ext/myhdf5_inline_role.py
index e6ffac1..e1ccc7d 100644
--- a/doc/_ext/myhdf5_inline_role.py
+++ b/doc/_ext/myhdf5_inline_role.py
@@ -1,5 +1,10 @@
-import re
import os
+import re
+import logging
+from glob import glob
+import importlib.util
+from pathlib import Path
+
from docutils import nodes
from pynxxas.io.convert import convert_files
@@ -11,7 +16,9 @@ def setup(app):
def myhdf5_role(name, rawtext, text, lineno, inliner, options={}, content=[]):
- matches = re.match(r"(\S+)\s*<([^<>]+)>", text)
+ matches = re.match(r"^(.*?)\s*<([^<>]+)>$", text)
+ if not matches:
+ raise ValueError(f"Invalid 'myhdf5' directive text: '{text}'")
display_text = matches.group(1)
filename = matches.group(2)
@@ -45,7 +52,31 @@ def inject_dynamic_url_js(app, pagename, templatename, context, doctree):
def generate_example_nxxas_data(app, config):
- output_filename = os.path.join(app.srcdir, "_static", "example_nxxas_data.h5")
- file_pattern1 = os.path.join(app.srcdir, "..", "xdi_files", "*")
- file_pattern2 = os.path.join(app.srcdir, "..", "xas_beamline_data", "*")
- convert_files([file_pattern1, file_pattern2], output_filename, "nexus")
+ try:
+ repo_root = Path(app.srcdir)
+ output_filename = repo_root / "_static" / "generic.h5"
+ file_pattern1 = repo_root / ".." / "xdi_files" / "*"
+ file_pattern2 = repo_root / ".." / "xas_beamline_data" / "*"
+ convert_files(
+ [str(file_pattern1), str(file_pattern2)], str(output_filename), "nexus"
+ )
+
+ script_paths = glob(
+ str(repo_root / ".." / "conversion_examples" / "*" / "make_xas.py")
+ )
+ for script_path in script_paths:
+ module_name = os.path.basename(os.path.dirname(script_path))
+ module = import_file(module_name, script_path)
+
+ output_filename = repo_root / "_static" / f"{module_name}.h5"
+ module.main(output_filename)
+ except Exception:
+ logging.exception("HDF5 file generate failed")
+ raise
+
+
+def import_file(module_name, script_path):
+ spec = importlib.util.spec_from_file_location(module_name, script_path)
+ module = importlib.util.module_from_spec(spec)
+ spec.loader.exec_module(module)
+ return module
diff --git a/doc/howtoguides/convert_files.rst b/doc/howtoguides/convert_files.rst
index 1e6d2b7..41f927c 100644
--- a/doc/howtoguides/convert_files.rst
+++ b/doc/howtoguides/convert_files.rst
@@ -5,4 +5,4 @@ Convert all files in the *xdi_files* and *xas_beamline_data* to *HDF5/NeXus* for
.. code-block:: bash
- nxxas-convert xdi_files/*.* xas_beamline_data/*.* ./converted/data.h5
+ nxxas-convert xdi_files/*.* xas_beamline_data/*.* ./nxxas_examples/data.h5
diff --git a/doc/index.rst b/doc/index.rst
index 7c9e2da..1dbd8d1 100644
--- a/doc/index.rst
+++ b/doc/index.rst
@@ -3,7 +3,13 @@ pynxxas |version|
Library for reading and writing XAS data in `NeXus format `_.
-An example HDF5 file can be found :myhdf5:`here `.
+Example HDF5 files with `NXxas` data
+
+- :myhdf5:`Native conversion supported `
+- :myhdf5:`Fe XAS APS (transmission) `
+- :myhdf5:`Fe XAS KEK (fluorescence) `
+- :myhdf5:`V XANES APS (multi-detector fluorescence) `
+- :myhdf5:`As XANES ESRF (transmission + reference + multi-detector fluorescence) `
.. toctree::
:hidden:
diff --git a/nxxas_examples/BlissMultiModal.h5 b/nxxas_examples/BlissMultiModal.h5
new file mode 100644
index 0000000..4c38406
Binary files /dev/null and b/nxxas_examples/BlissMultiModal.h5 differ
diff --git a/nxxas_examples/Fe_XDIFiles.h5 b/nxxas_examples/Fe_XDIFiles.h5
new file mode 100644
index 0000000..220723a
Binary files /dev/null and b/nxxas_examples/Fe_XDIFiles.h5 differ
diff --git a/nxxas_examples/KEK_PFdata.h5 b/nxxas_examples/KEK_PFdata.h5
new file mode 100644
index 0000000..8cdeec4
Binary files /dev/null and b/nxxas_examples/KEK_PFdata.h5 differ
diff --git a/nxxas_examples/MultiElementFluor.h5 b/nxxas_examples/MultiElementFluor.h5
new file mode 100644
index 0000000..1b0d19f
Binary files /dev/null and b/nxxas_examples/MultiElementFluor.h5 differ
diff --git a/nxxas_examples/generate.sh b/nxxas_examples/generate.sh
new file mode 100755
index 0000000..4666665
--- /dev/null
+++ b/nxxas_examples/generate.sh
@@ -0,0 +1,9 @@
+#!/bin/bash
+
+SCRIPT_ROOT="$( cd "$( dirname "${BASH_SOURCE[0]}" )" && pwd )"
+
+nxxas-convert "${SCRIPT_ROOT}/../xdi_files/*.*" "${SCRIPT_ROOT}/../xas_beamline_data/*.*" "${SCRIPT_ROOT}/generic.h5"
+
+for script in "${SCRIPT_ROOT}/../conversion_examples"/*/make_xas.py; do
+ python "$script"
+done
diff --git a/nxxas_examples/generic.h5 b/nxxas_examples/generic.h5
new file mode 100644
index 0000000..2cdeed4
Binary files /dev/null and b/nxxas_examples/generic.h5 differ
diff --git a/setup.cfg b/setup.cfg
index b5d3d18..83f6a3e 100644
--- a/setup.cfg
+++ b/setup.cfg
@@ -42,11 +42,13 @@ dev =
%(test)s
black >=22
flake8 >=4
+ xraylarch
doc =
%(test)s
sphinx >=4.5
sphinx-autodoc-typehints >=1.16
pydata-sphinx-theme < 0.15
+ xraylarch
[options.entry_points]
console_scripts =
diff --git a/src/pynxxas/apps/nxxas_convert.py b/src/pynxxas/apps/nxxas_convert.py
index 609f505..cdb5eff 100644
--- a/src/pynxxas/apps/nxxas_convert.py
+++ b/src/pynxxas/apps/nxxas_convert.py
@@ -31,6 +31,13 @@ def main(argv=None) -> None:
help="Files to convert",
)
+ parser.add_argument(
+ "-w",
+ "--overwrite",
+ action="store_true",
+ help="Overwrite the output file",
+ )
+
parser.add_argument(
"output_filename", type=str, help="Convert destination filename"
)
@@ -39,7 +46,10 @@ def main(argv=None) -> None:
logging.basicConfig()
convert_files(
- args.file_patterns, args.output_filename, args.output_format, interactive=True
+ args.file_patterns,
+ args.output_filename,
+ args.output_format,
+ overwrite=args.overwrite,
)
diff --git a/src/pynxxas/io/__init__.py b/src/pynxxas/io/__init__.py
index e135d93..9663cda 100644
--- a/src/pynxxas/io/__init__.py
+++ b/src/pynxxas/io/__init__.py
@@ -5,15 +5,10 @@
import pydantic
-from .convert import convert_files
-
-from .url_utils import UrlType
-from .utils import read_textfile, gformat, fix_varname
-from .columnfile import read_columnfile
-from .xas_beamlines import guess_beamline
from . import xdi
from . import nexus
from .. import models
+from .url_utils import UrlType
def load_models(url: UrlType) -> Generator[pydantic.BaseModel, None, None]:
diff --git a/src/pynxxas/io/columnfile.py b/src/pynxxas/io/columnfile.py
deleted file mode 100644
index 7737c9d..0000000
--- a/src/pynxxas/io/columnfile.py
+++ /dev/null
@@ -1,423 +0,0 @@
-#!/usr/bin/env python
-"""
- Larch column file reader: read_ascii
-"""
-import os
-import sys
-import time
-import string
-from pathlib import Path
-from types import SimpleNamespace
-
-import numpy as np
-
-from .xas_beamlines import guess_beamline
-from .utils import read_textfile, fix_varname, MAX_FILESIZE, COMMENTCHARS
-
-
-def colname(txt):
- return fix_varname(txt.strip().lower()).replace(".", "_")
-
-
-def getfloats(txt, sepchars=(",", "|", "\t"), invalid=None):
- """convert a line of numbers into a list of floats,
- as for reading a file with columnar numerical data.
-
- Arguments
- ---------
- txt (string) : line of text to parse
- sepchars (list or tuple of strings): accepted
- separators of values (in addition to " ")
- default is (",", "|", "\t")
- invalid (object): value to use for words that
- cannot be converted to float [None]
- Returns
- -------
- list with each entry either a float or None
-
- """
- tclean = txt.replace("\n", " ").replace("\r", " ")
- for sep in sepchars:
- tclean = tclean.replace(sep, " ")
- words = [w.strip() for w in tclean.split()]
- for i, w in enumerate(words):
- try:
- words[i] = float(w)
- except ValueError:
- words[i] = invalid
- return words
-
-
-def read_columnfile(
- filename, labels=None, simple_labels=False, sort=False, sort_column=0
-):
- """read a plaintext column file, returning a group
- containing the data extracted from the file.
-
- Arguments:
- filename (str): name of file to read
- labels (ist or None) : list of labels to use for array labels [None]
- simple_labels (bool) : whether to force simple column labels (note 1) [False]
- sort (bool) : whether to sort row data (note 2) [False]
- sort_column (int) : column to use for sorting (note 2) [0]
-
- Returns:
- namespace
-
- A data group containing data read from file, with several attributes:
-
- | filename : text name of the file.
- | array_labels : array labels, names of 1-D arrays.
- | data : 2-dimensional data (ncolumns, nrows) with all data.
- | header : array of text lines of the header.
- | footer : array of text lines of the footer (text after the numerical data)
- | attrs : group of attributes parsed from header lines.
-
- Notes:
- 1. array labels. If `labels` is `None` (the default), column labels
- and names of 1d arrays will be guessed from the file header. This often
- means parsing the final header line, but tagged column files from several XAFS
- beamlines will be tried and used if matching. Column labels may be like 'col1',
- 'col2', etc if suitable column labels cannot be guessed.
- These labels will be used as names for the 1-d arrays from each column.
- If `simple_labels` is `True`, the names 'col1', 'col2' etc will be used
- regardless of the column labels found in the file.
-
- 2. sorting. Data can be sorted to be in increasing order of any column,
- by giving the column index (starting from 0).
-
- 3. header parsing. If header lines are of the forms of
-
- | KEY : VAL
- | KEY = VAL
-
- these will be parsed into a 'attrs' dictionary in the returned group.
-
- Examples:
-
- >>> feo_data = read_column_file("feo_rt1.dat")
-
- """
- if not Path(filename).exists():
- raise OSError(f"File not found: '{filename}'")
- if os.stat(filename).st_size > MAX_FILESIZE:
- raise OSError(f"File '{filename}' too big for read_column_file()")
-
- text = read_textfile(filename)
- lines = text.split("\n")
-
- ncol = None
- data, footers, headers = [], [], []
-
- lines.reverse()
- section = "FOOTER"
-
- for line in lines:
- line = line.strip()
- if len(line) < 1:
- continue
- # look for section transitions (going from bottom to top)
- if section == "FOOTER" and not None in getfloats(line):
- section = "DATA"
- elif section == "DATA" and None in getfloats(line):
- section = "HEADER"
-
- # act of current section:
- if section == "FOOTER":
- footers.append(line)
- elif section == "HEADER":
- headers.append(line)
- elif section == "DATA":
- rowdat = getfloats(line)
- if ncol is None:
- ncol = len(rowdat)
- elif ncol > len(rowdat):
- rowdat.extend([np.nan] * (ncol - len(rowdat)))
- elif ncol < len(rowdat):
- for i in data:
- i.extend([np.nan] * (len(rowdat) - ncol))
- ncol = len(rowdat)
- data.append(rowdat)
-
- # reverse header, footer, data, convert to arrays
- footers.reverse()
- headers.reverse()
- data.reverse()
- data = np.array(data).transpose()
-
- # try to parse attributes from header text
- header_attrs = {}
- for hline in headers:
- hline = hline.strip().replace("\t", " ")
- if len(hline) < 1:
- continue
- if hline[0] in COMMENTCHARS:
- hline = hline[1:].strip()
- keywds = []
- if ":" in hline: # keywords in "x: 22"
- words = hline.split(":", 1)
- keywds = words[0].split()
- elif "=" in hline: # keywords in "x = 22"
- words = hline.split("=", 1)
- keywds = words[0].split()
- if len(keywds) == 1:
- key = colname(keywds[0])
- if key.startswith("_"):
- key = key[1:]
- if len(words) > 1:
- header_attrs[key] = words[1].strip()
-
- fpath = Path(filename)
- attrs = {"filename": filename}
- group = SimpleNamespace(
- name=filename, filename=fpath.name, header=headers, data=[], array_labels=[]
- )
-
- if len(data) == 0:
- return group
-
- if sort and sort_column >= 0 and sort_column < ncol:
- data = data[:, np.argsort(data[sort_column])]
-
- group.data = data
-
- if len(footers) > 0:
- group.footer = footers
-
- group.attrs = SimpleNamespace(name=f"header attributes from '{filename}'")
- for key, val in header_attrs.items():
- setattr(group.attrs, key, val)
-
- if isinstance(labels, str):
- for bchar in ",#@%|:*":
- labels = labels.replace(bchar, "")
- labels = labels.split()
- if labels is None and not simple_labels:
- bldat = guess_beamline(headers)(headers)
- labels = bldat.get_array_labels()
-
- if getattr(bldat, "energy_units", "eV") != "eV":
- group.energy_units = bldat.energy_units
- if getattr(bldat, "energy_column", 1) != 1:
- group.energy_column = bldat.energy_column
- if getattr(bldat, "mono_dspace", -1) > 0:
- group.mono_dspace = bldat.mono_dspace
-
- set_array_labels(group, labels=labels, simple_labels=simple_labels)
- return group
-
-
-def set_array_labels(group, labels=None, simple_labels=False, save_oldarrays=False):
- """set array names for a group from its 2D `data` array.
-
- Arguments
- ----------
- labels (list of strings or None) array of labels to use
- simple_labels (bool): flag to use ("col1", "col2", ...) [False]
- save_oldarrays (bool): flag to save old array names [False]
-
-
- Returns
- -------
- group with newly named attributes of 1D array data, and
- an updated `array_labels` giving the mapping of `data`
- columns to attribute names.
-
- Notes
- ------
- 1. if `simple_labels=True` it will overwrite any values in `labels`
-
- 3. Array labels must be valid python names. If not enough labels
- are specified, or if name clashes arise, the array names may be
- modified, often by appending an underscore and letter or by using
- ("col1", "col2", ...) etc.
-
- 4. When `save_oldarrays` is `False` (the default), arrays named in the
- current `group.array_labels` will be erased. Other arrays and
- attributes will not be changed.
-
- """
- write = sys.stdout.write
- if not hasattr(group, "data"):
- write(f"cannot set array labels for group {group}: no `data`\n")
- return
-
- # clear old arrays, if desired
- oldlabels = getattr(group, "array_labels", None)
- if oldlabels is not None and not save_oldarrays:
- for attr in oldlabels:
- if hasattr(group, attr):
- delattr(group, attr)
-
- ncols, nrow = group.data.shape
-
- ####
- # step 1: determine user-defined labels from input options
- # generating array `tlabels` for test labels
- #
- # generate simple column labels, used as backup
- clabels = [f"col{i+1:d}" for i in range(ncols)]
-
- if isinstance(labels, str):
- labels = labels.split()
-
- tlabels = labels
- # if simple column names requested or above failed, use simple column names
- if simple_labels or tlabels is None:
- tlabels = clabels
-
- ####
- # step 2: check input and correct problems
- # 2.a: check for not enough and too many labels
- if len(tlabels) < ncols:
- for i in range(len(tlabels), ncols):
- tlabels.append(f"col{i+1:d}")
- elif len(tlabels) > ncols:
- tlabels = tlabels[:ncols]
-
- # 2.b: check for names that clash with group attributes
- # or that are repeated, append letter.
- reserved_names = ("data", "array_labels", "filename", "attrs", "header", "footer")
- extras = string.ascii_lowercase
- labels = []
- for i in range(ncols):
- lname = tlabels[i]
- if lname in reserved_names or lname in labels:
- lname = lname + "_a"
- j = 0
- while lname in labels:
- j += 1
- if j == len(extras):
- break
- lname = f"{tlabels[i]}_{extras[j]}"
- if lname in labels:
- lname = clabels[i]
- labels.append(lname)
-
- ####
- # step 3: assign attribue names, set "array_labels"
- for i, name in enumerate(labels):
- setattr(group, name, group.data[i])
- group.array_labels = labels
- return group
-
-
-def write_ascii(filename, *args, commentchar="#", label=None, header=None):
- """
- write a list of items to an ASCII column file
-
- Arguments:
- args (list of groups): list of groups to write.
- commentchar (str) : character for comment ("#")
- label (str on None): array label line (autogenerated)
- header (list of strings): array of strings for header
-
- Returns:
- None
-
- Examples:
- >>> write_ascii("myfile", group.energy, group.norm, header=["comment1", "comment2"]
-
- """
- ARRAY_MINLEN = 2
- write = sys.stdout.write
- com = commentchar
- label = label
- if header is None:
- header = []
-
- arrays = []
- arraylen = None
-
- for arg in args:
- if isinstance(arg, np.ndarray):
- if len(arg) > ARRAY_MINLEN:
- if arraylen is None:
- arraylen = len(arg)
- else:
- arraylen = min(arraylen, len(arg))
- arrays.append(arg)
- else:
- header.append(repr(arg))
-
- else:
- header.append(repr(arg))
-
- if arraylen is None:
- msg = f"write_ascii() need arrays with {ARRAY_MINLEN:d} or more elements."
- raise ValueError(msg)
-
- buff = []
- if header is None:
- buff = [f"{com} empty header"]
- for s in header:
- buff.append(f"{com} {s}")
- buff.append(f"{com}--------------------------------")
- if label is None:
- label = (" " * 13).join([f"col{i+1:d}" for i in range(len(arrays))])
- buff.append(f"{com} {label}")
-
- arrays = np.array(arrays)
- for i in range(arraylen):
- w = [gformat(val[i], length=14) for val in arrays]
- buff.append(" ".join(w))
- buff.append("")
-
- with open(filename, "w", encoding=sys.getdefaultencoding()) as fout:
- fout.write("\n".join(buff))
- write(f"wrote to file '{filename}'")
-
-
-def read_fdmnes(filename, **kwargs):
- """read [FDMNES](http://fdmnes.neel.cnrs.fr/) ascii files"""
- group = read_ascii(filename, **kwargs)
- group.header_dict = dict(filetype="FDMNES", energy_units="eV")
- for headline in group.header:
- if "E_edge" in headline:
- if headline.startswith("#"):
- headline = headline[1:]
- vals = [float(v) for v in headline.split(" = ")[0].split(" ") if v]
- vals_names = headline.split(" = ")[1].split(", ")
- group.header_dict.update(dict(zip(vals_names, vals)))
- group.name = f"FDMNES file {filename}"
- group.energy += group.header_dict["E_edge"]
- # fix _arrlabel -> arrlabel
- for ilab, lab in enumerate(group.array_labels):
- if lab.startswith("_"):
- fixlab = lab[1:]
- group.array_labels[ilab] = fixlab
- delattr(group, lab)
- setattr(group, fixlab, group.data[ilab])
- return group
-
-
-def guess_filereader(path, return_text=False):
- """guess function name to use to read a data file based on the file header
-
- Arguments
- ---------
- path (str) : file path to be read
-
- Returns
- -------
- name of function (as a string) to use to read file
- if return_text: text of the read file
- """
- text = read_textfile(path)
- lines = text.split("\n")
- line1 = lines[0].lower()
- reader = "read_ascii"
- if "epics scan" in line1:
- reader = "read_gsescan"
- if "xdi" in line1:
- reader = "read_xdi"
- if "epics stepscan file" in line1:
- reader = "read_gsexdi"
- if ("#s" in line1) or ("#f" in line1):
- reader = "read_specfile"
- if "fdmnes" in line1:
- reader = "read_fdmnes"
- if return_text:
- return reader, text
- else:
- return reader
diff --git a/src/pynxxas/io/convert.py b/src/pynxxas/io/convert.py
index e59b255..ac3bc8e 100644
--- a/src/pynxxas/io/convert.py
+++ b/src/pynxxas/io/convert.py
@@ -17,16 +17,14 @@ def convert_files(
file_patterns: Iterator[str],
output_filename: str,
output_format: str,
- interactive: bool = False,
+ overwrite: bool = False,
) -> int:
model_type = models.MODELS[output_format]
output_filename = pathlib.Path(output_filename)
if output_filename.exists():
- if interactive:
- result = input(f"Overwrite {output_filename}? (y/[n])")
- if not result.lower() in ("y", "yes"):
- return 1
+ if not overwrite:
+ return 1
output_filename.unlink()
output_filename.parent.mkdir(parents=True, exist_ok=True)
diff --git a/src/pynxxas/io/xas_beamlines.py b/src/pynxxas/io/xas_beamlines.py
index 87d2810..feee823 100644
--- a/src/pynxxas/io/xas_beamlines.py
+++ b/src/pynxxas/io/xas_beamlines.py
@@ -28,7 +28,6 @@
"""
-import numpy as np
from .utils import fix_varname
@@ -224,7 +223,7 @@ def get_array_labels(self, ncolumns=None):
pref, suff = word.split("_")
isint = False
try:
- ipref = int(pref)
+ _ = int(pref)
isint = True
except ValueError:
pass
@@ -321,7 +320,7 @@ def get_array_labels(self, ncolumns=None):
for o in range(1, 4):
try:
_ = int(line[z - o])
- except:
+ except Exception:
break
z = z - o + 1
val = line[j + 1 : z].strip()
@@ -331,7 +330,7 @@ def get_array_labels(self, ncolumns=None):
try:
key = int(key)
maxkey = max(maxkey, key)
- except:
+ except Exception:
break
tmplabels[key] = val
diff --git a/src/pynxxas/models/nexus.py b/src/pynxxas/models/nexus.py
index 870c627..049f227 100644
--- a/src/pynxxas/models/nexus.py
+++ b/src/pynxxas/models/nexus.py
@@ -124,4 +124,6 @@ def set_title(self) -> "NxXasModel":
return self
def has_data(self) -> bool:
+ if self.energy is None or self.intensity is None:
+ return False
return bool(self.energy.size and self.intensity.size)
diff --git a/src/pynxxas/models/xdi.py b/src/pynxxas/models/xdi.py
index 1a34364..61938ef 100644
--- a/src/pynxxas/models/xdi.py
+++ b/src/pynxxas/models/xdi.py
@@ -60,7 +60,6 @@ def resolve_aliases(cls, data: Any) -> Any:
data = dict(data)
for alias, target in XDI_ARRAY_ALIASES.items():
if alias in data:
- print("resolve aliase ", alias, target)
data[target] = data[alias]
return data