Merge pull request #31 from Kzra/main

Added notebook on 'Non-Target Analysis of Environmental Mass Spectrometry Data'.

Author: Jez-Carter

.gitmodules

@@ -10,3 +10,6 @@
 [submodule "methods/ds-toolbox-notebook-jsdmstan"]
 	path = methods/ds-toolbox-notebook-jsdmstan
 	url = https://github.com/NERC-CEH/ds-toolbox-notebook-jsdmstan.git
+[submodule "methods/DSFP-PyExplorer"]
+	path = methods/DSFP-PyExplorer
+	url = https://github.com/NERC-CEH/DSFP-PyExplorer

_toc.yml

@@ -14,3 +14,5 @@ parts:
     file: methods/ds-toolbox-notebook-multispecies-biodiversity-indicators/msbi-error.ipynb
   - title: Fitting Joint Species Distribution Models with jsdmstan
     file: methods/ds-toolbox-notebook-jsdmstan/jsdmstan-book.ipynb
+  - title: Non-target Analysis of Environmental Mass Spectrometry Data 
+    file: methods/DSFP-PyExplorer/notebooks/ds-toolbox-notebook-nta-analysis.ipynb

intro.md

@@ -25,6 +25,7 @@ The current recommended workflow for interactively engaging with the code in the
 | [Calculating Risk to Terrestrial Carbon Pool](<../methods/ds-toolbox-notebook-risk-terrestrial-carbon-pool/RiskQuantificationNotebook>) {bdg-warning-line}`Ongoing Development` | Data Access, Data Integration | MODIS Land Cover and Net Primary Production Products, European Space Agency (ESA) Climate Change Initiative (CCI) Soil Moisture Dataset, Global Standardized Precipitation-Evapotranspiration Index (SPEI) Dataset.
 | [Understanding the error of Multispecies Biodiversity Indicators](<../methods/ds-toolbox-notebook-multispecies-biodiversity-indicators/msbi-error>) {bdg-warning-line}`Ongoing Development` | Bias, Uncertainty | Simulated Dataset (Multispecies Occupancy).
 | [Joint Species Distribution Models with jsdmstan](<../methods/ds-toolbox-notebook-jsdmstan/jsdmstan-book>) | Stochastic Partial Differential Equations, Integrated Nested Laplace Approximations,  | Simulated Dataset (Multispecies Populations).
+| [Non-target Analysis of Environmental Mass Spectrometry Data](<../methods/DSFP-PyExplorer/notebooks/ds-toolbox-notebook-nta-analysis>) {bdg-warning-line}`Ongoing Development` | Cheminformatics, Data Access, Non-target Analysis, Large Language Models, Principal Component Analysis, UpSet Analysis | Processed LC-MS and GC-MS Data hosted on the NORMAN Digital Sample Freezing Platform (DSFP).
 | Accessing EA Data via an API {bdg-warning-line}`Planned` | Data Access, Data Integration | |
 | Data Pipelines for JULES Emulation/Portable JULES {bdg-warning-line}`Planned` | | |
 | River Utility Tools {bdg-warning-line}`Planned` | Spatio-temporal Integration, Networks | |