search

MSGFPlus / msgfplus

MS-GF+ (aka MSGF+ or MSGFPlus) performs peptide identification by scoring MS/MS spectra against peptides derived from a protein sequence database.
Other
76 stars 36 forks source link

Theoretical spectrum generator #93

Open CyberslavB opened 4 years ago

CyberslavB commented 4 years ago

How can I access the theoretical spectrums generated for a peptide?

As far as I understand MSGF+ generates theoretical spectrum for each peptide in the library, then compares each of them to the experimental spectrum. Is there a way to see the generated spectrum?

alchemistmatt commented 4 years ago

I don't think it's as simple as that. MS-GF+ uses an advanced technique known as a generating function, described at https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5036525/ I'll admit, I don't fully understand the details, but I think it's safe to say that it does not generate theoretical spectra.. What you can do is load the .mzML file and the MS-GF+ .mzid file using PDV and browse the results, including the theoretical spectra generated by PDV