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@Kzra Kzra commented Oct 29, 2025

This pull request resolves issue: #30 Make Environmental Mass Spec Non target Analysis Notebook

The following changes are made:

  • Added DSFP-PyExplorer(https://github.com/NERC-CEH/DSFP-PyExplorer) as a submodule, with a notebook in /notebooks/ds-toolbox-notebook-nta-analysis.ipynb**
  • Included path to notebook and title in _toc.yml file
  • Included path to notebook and some details in intro.md

@Jez-Carter
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Jez-Carter commented Oct 30, 2025

Hi Ezra, thanks for this, I'm having difficulty loading in the submodule because of the colons in the 'kmeans/333/LC-Bruker maXis QTOF: Submission #10' and 'kmeans/333/LC-Bruker maXis QTOF: Submission #11' folder names and because I'm on a windows machine. Could you adjust the folder names, maybe also removing the hashes. Alternatively, the way we've been adding notebooks so far, is even if they have an existing repository we've been creating standalone repositories to house them with the naming convention 'ds-toolbox-notebook-dsfp-pyexplorer', then that repository only contains the necessary files for rendering the notebook and generating relevant environments (e.g. https://github.com/NERC-CEH/ds-toolbox-notebook-biascorrection/tree/2c6596f25e5ccdc07e193896b6fe7e4d371e3ebf).

@Kzra
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Kzra commented Oct 30, 2025

Thanks Jez, unfortunately the entire repository is needed run the notebook right now, so i'll just edit the folder names for the time being

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Kzra commented Oct 30, 2025

Hopefully that's fixed the issues!

@Jez-Carter Jez-Carter self-assigned this Oct 30, 2025
@Jez-Carter Jez-Carter added the MethodologyNotebook Adding a notebook to illustrate a new methodology. label Oct 30, 2025
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Looks great, thanks. One minor thing to flag is that one of the links in the header of the notebook has a double h in http: {bdg-link-info}Notebook Repository hhttps://github.com/NERC-CEH/DSFP-PyExplorer

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Kzra commented Oct 31, 2025

good spot! fixed that

@Jez-Carter Jez-Carter merged commit 0f292f5 into NERC-CEH:main Nov 3, 2025
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2 participants