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Wrapper for clustering step which accepts recetox-aplcms and XCMS output #461

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Tracked by #454
hechth opened this issue Dec 4, 2023 · 1 comment · May be fixed by #468
Open
Tracked by #454

Wrapper for clustering step which accepts recetox-aplcms and XCMS output #461

hechth opened this issue Dec 4, 2023 · 1 comment · May be fixed by #468
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@hechth
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hechth commented Dec 4, 2023

The clustering step works with data from aplcms in principle, we just need to reformat the input. It would be cool to have a small workflow for this or to cover this eventually in the Galaxy training for ipa2 so that users know which steps they need to perform if they used XCMS or recetox-aplcms for peak picking.

@hechth hechth mentioned this issue Dec 4, 2023
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@hechth hechth moved this to Todo in MS1 Annotation Tools Dec 11, 2023
@hechth hechth moved this from Todo to In Progress in MS1 Annotation Tools Dec 11, 2023
@hechth hechth moved this from In Progress to In Review in MS1 Annotation Tools Dec 11, 2023
@hechth
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hechth commented Dec 11, 2023

This is basically solved and needs to be reviewed.

@hechth hechth linked a pull request Aug 15, 2024 that will close this issue
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