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RECETOX / galaxytools

Set of Galaxy tool wrappers developed at RECETOX
MIT License
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Galaxy tool to create an alkane series file? #426

Open hechth opened 11 months ago

hechth commented 11 months ago

Currently we expect the alkane series files to be available for the dataset. Would it be beneficial to implement a tool which takes a single mzml file and outputs the position of the individual alkanes or FAMES compounds etc. detected in that file @ElliottJP ?

This would streamline the pipeline to reduce manual steps, but it is questionable how accurate and easy to implement such a tool would be.

hechth commented 10 months ago

This would make sense as an interactive tool where the user picks the peaks but he should also be encouraged to use compounds for control.