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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Does including ammonia and water loss in psm scoring help? #30

Closed stefanks closed 6 years ago

trishorts commented 7 years ago

andromeda/maxquant scores as follows:

image

stefanks commented 7 years ago

Let's figure out which peak types are most useful!

For a specific experiment, let's conduct a search and then annotate all the confident identifications. Remove co-isolated peptides for simplicity.

For each peak type, collect information such as: peaks found/total peaks, intensity matching, peak dependence on other peaks, sequence coverage, etc.

Once we compile it, we should have the peak types ranked by how well they support an identification, and then consider including them in MM searches. This should be done separately for each instrument, fragmentation method, collision energy, etc.

zrolfs commented 7 years ago

Although obvious, I think it's worth mentioning that these additional ion types will dramatically increase the search time for all searches. A two pass search where we first score only b-y-ions, save the top N scoring peptides, and then re-score using the additional ions may be useful for resolving this issue.

rmillikin commented 6 years ago

I think this was a "no"?

zrolfs commented 6 years ago

@trishorts