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88 changes: 85 additions & 3 deletions base_classes/NXedge.nxdl.xml
Original file line number Diff line number Diff line change
Expand Up @@ -24,10 +24,82 @@
<definition name="NXedge" type="group" extends="NXobject" category="base"
xmlns="http://definition.nexusformat.org/nxdl/3.1"
xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://definition.nexusformat.org/nxdl/3.1 ../nxdl.xsd">
<doc>Absorption edge</doc>
<doc>
An absorption edge is a sharp discontinuity in the X-ray absorption spectrum
of an element that occurs when the incident photon energy equals the binding
energy of a core electron, enabling photoionization of that shell.
</doc>
<field name="name" type="NX_CHAR" minOccurs="1" maxOccurs="1">
<doc>
Name of the edge
Name of the absorption edge specified using
`IUPAC notation`_ (e.g., ``K``, ``L2``, ``M5``), which identifies the
shell and sub-shell from which the electron is ejected.

Correspondence between IUPAC and electronic level notations:

.. list-table::
:header-rows: 1

* - IUPAC
- Electronic level
* - K
- 1s
* - L1
- 2s
* - L2
- :math:`2p_{1/2}`
* - L3
- :math:`2p_{3/2}`
* - M1
- 3s
* - M2
- :math:`3p_{1/2}`
* - M3
- :math:`3p_{3/2}`
* - M4
- :math:`3d_{3/2}`
* - M5
- :math:`3d_{5/2}`
* - N1
- 4s
* - N2
- :math:`4p_{1/2}`
* - N3
- :math:`4p_{3/2}`
* - N4
- :math:`4d_{3/2}`
* - N5
- :math:`4d_{5/2}`
* - N6
- :math:`4f_{5/2}`
* - N7
- :math:`4f_{7/2}`
* - O1
- 5s
* - O2
- :math:`5p_{1/2}`
* - O3
- :math:`5p_{3/2}`
* - O4
- :math:`5d_{3/2}`
* - O5
- :math:`5d_{5/2}`
* - O6
- :math:`5f_{5/2}`
* - O7
- :math:`5f_{7/2}`
* - P1
- 6s
* - P2
- :math:`6p_{1/2}`
* - P3
- :math:`6p_{3/2}`
* - P4
- :math:`6d_{3/2}`
* - P5
- :math:`6d_{5/2}`

.. _IUPAC notation: https://doi.org/10.1002/xrs.1300200308
</doc>
<enumeration>
<item value="K"></item>
Expand All @@ -49,10 +121,20 @@
<item value="O1"></item>
<item value="O2"></item>
<item value="O3"></item>
<item value="O4"></item>
<item value="O5"></item>
<item value="O6"></item>
<item value="O7"></item>
<item value="P1"></item>
<item value="P2"></item>
<item value="P3"></item>
<item value="P4"></item>
<item value="P5"></item>
</enumeration>

</field>
<field name="energy" type="NX_FLOAT" units="NX_ENERGY">
<doc>
Energy of the absorption edge.
</doc>
</field>
</definition>
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