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vdemichev / DiaNN

DIA-NN - a universal automated software suite for DIA proteomics data analysis.
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Elution groups #674

Open joachims1956 opened 1 year ago

joachims1956 commented 1 year ago

Hi,

Thank you so much for creating DIA-NN. I am new to this tool. I was trying to generate a predicted spectral library from a FASTA file. To access the library properties I loaded it in DIA-NN resulting in this line:

"[0:00] Spectral library loaded: 7845 protein isoforms, 7845 protein groups and 140422 precursors in 123015 elution groups."

Would it be possible to shed some light on how precursors are split into different elution groups? Based on which properties precursors are split into what elution group?

In addition, how is an elution group defined?

Thanks very much in advance.

vdemichev commented 1 year ago

Charge and isotopic labels are assumed not to affect the elution profile, hence precursors differing only in those are assumed to belong to the same elution group.