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rickhelmus / patRoon

Workflow solutions for mass-spectrometry based non-target analysis.
https://rickhelmus.github.io/patRoon/
GNU General Public License v3.0
65 stars 19 forks source link

MGF #115

Open Boris-Droz opened 2 months ago

Boris-Droz commented 2 months ago

Hi Rick, Is there a way to save a MGF file in patroon after the peak picking? Thank you very much best Boris

rickhelmus commented 2 months ago

Hi @Boris-Droz ,

Currently there is no MGF export. But pull requests are always welcome ;-) I am curious about your use case?

Thanks, Rick

Boris-Droz commented 2 months ago

Hi Rick, try to test Buddy https://philipbear.github.io/BUDDY_Metabolomics/ with a start processing using patroon.

Thank you

Boris

Boris-Droz commented 1 month ago

One colleague which also use patroon will love to have a MGF export to plug directly patroon output with GNPS https://gnps.ucsd.edu/

Forget to mention in my last post

Cheers

Boris