Galaxy training for the MFAssignR tool #5710
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shiltemann
reviewed
Feb 27, 2025
shiltemann
reviewed
Feb 27, 2025
shiltemann
reviewed
Feb 27, 2025
shiltemann
reviewed
Feb 27, 2025
shiltemann
reviewed
Feb 27, 2025
topics/metabolomics/tutorials/mfassignr/workflows/main_workflow.ga
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shiltemann
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Feb 27, 2025
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@KristinaGomoryova I pushed a few technical changes to fix some of the linting errors, and it would be great if you could add test to your workflow (let us know if you need help with this) I will leave final approval to @hechth since he is the expert on the topic, but from a technical point of view this is looking good 👍 Thanks! |
hechth
requested review from
lecorguille,
melpetera and
foellmelanie
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Would it be also possible to move the workflow somewhere else, or to not have it in the repo? Is it possible to link to a workflow at IWC @shiltemann @mvdbeek ? |
hechth
approved these changes
May 19, 2025
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This is the PR for the MFAssignR tool, which allows multi-element molecular formula (MF) assignment for mass spectrometry. Individual parameters are explained as well as interpretation of the plots which are generated alongside. Several different sub-tools are used within the workflow (e.g. MFAssignR SNplot, etc.).