Galaxy training for the MFAssignR tool #5710
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hechth
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Jan 28, 2025
shiltemann
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Thanks @KristinaGomoryova! Just a few technical/formatting suggestions below (you can hit the "commit suggestion" button to accept them)
shiltemann
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shiltemann
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topics/metabolomics/tutorials/mfassignr/workflows/main_workflow.ga
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shiltemann
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| @article{krevelen1950graphical, | ||
| title={Graphical-statistical method for the study of structure and reaction processes of coal.}, | ||
| author={KREVELEN, VAN}, |
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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! |
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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.).