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rformassspectrometry / MetaboAnnotation

High level functionality to support and simplify metabolomics data annotation.
https://rformassspectrometry.github.io/MetaboAnnotation/
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Integrate MetFrag #92

Open jorainer opened 1 year ago

jorainer commented 1 year ago

Link Spectra with MetFrag, i.e. add the possibility to call directly MetFrag on a Spectra object (e.g. through MetFragR). @sneumann any objection/suggestion?

sneumann commented 1 year ago

No objection. Note that metfragR is barely maintained, any reports and help appreciated. Yours, Steffen