kusterlab / prosit

Prosit offers high quality MS2 predicted spectra for any organism and protease as well as iRT prediction. When using Prosit is helpful for your research, please cite "Gessulat, Schmidt et al. 2019" DOI 10.1038/s41592-019-0426-7
https://www.proteomicsdb.org/prosit/
Apache License 2.0
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Which Columns Used From msms.txt for CE Calibration #98

Open kostrouc opened 1 year ago

kostrouc commented 1 year ago

I have some predicted peptide sequences output from a non-standard software. I would like to know specifically which columns at a minimum Prosit uses for the CE calibration step so that I can process them with this software to eventually generate a .dlib database for searching with EncylopeDIA.

Attached is an example of my predicted sequence output file structure which contains the modified sequence, spectra number, score, charge, calculated m/z, and expected m/z. What additional calculations will I need to perform to match the minimum required columns for the CE calibration step to be successful? example_pept_ids.xlsx