smith-chem-wisc / MetaMorpheus

Proteomics search software with integrated calibration, PTM discovery, bottom-up, top-down and LFQ capabilities
MIT License
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[WIP] Inverted q-value calculation #2293

Closed trishorts closed 1 year ago

trishorts commented 1 year ago

I discovered a trick at ASMS that allows us to compute q-value using the accepted (decoy + 1) / target. This wasn't previously possible b/c the highest scoring peptide would have qvalue = 0.5. What we do is compute q-value from bottom to top, low scoring to high scoring. And, we keep the minimum q-value between previous and current. That way the the q-value doesn't creep in the backward direction ever, having achieved a certain value.

This results in the highest scoring PSM to have an above zero q-value always (which is cosmetically bad). However, there is an expected increase in PSM count and peptide count (according to the Noble group).