This repository will help accomplish two things:
- Feature Detection using TOPPAS/OPENMS
- Create an exclusion list for the QExactive Mass Spectrometer
We can run this on Binder, click it below
You will need to do two things:
- Open IODA_TOPPAS_mztab_generation.ipynb to run the feature finding to create the mztab file
- Open IODA_exclusion_from_mztab.ipyn to create the exclusion file to download