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Add tutorial: GC-MS analysis with apLCMS [metabolomics] #4304

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@xtrojak xtrojak commented Jul 25, 2023

Add a new tutorial to the metabolomics category. The tutorial explains how to use apLCMS (resp. a forked version recetox-aplcms) for analysis of GC-MS data.

TODO:

  • Content
    • add a hint on how to select a single file from the collection as input for a tool
    • explain more the outputs of align features, compare with pre-recovered data
    • improve introduction
    • add conclusions & resulting data
    • fill in objectives & key points
    • add missing questions
  • Figures
  • Data and workflow
    • updated the workflow with suitable parameter values to work with the training dataset
    • describe the known table and add a zenodo link* to it
  • Optional
    • update GC-MS tutorial with XCMS with the possibility into to use recetox-aplcms for the peak detection instead of XCMS + include zenodo link (* can be the same one) to pre-computed data

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