araskind / MRC2Toolbox

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Use a MS1 feature list to "filter" tracker projects #5

Open evanscr opened 2 years ago

evanscr commented 2 years ago

In order to make spectral review more manageable, please consider adding a way to filter MS/MS spectra by an externally-generated "feature list" consisting of m/z and RT value. Basically, I envision it would search a full list of all MS/MS spectra for the closest match to the m/z and RT for each feature in a list from all the available spectra (presumably for Agilent data where multiple collision energies are used, you'd add the ability to select a specific collision energy). If no matching MS/MS spectrum are found for a feature it would be ignored; in the end, any MS/MS spectra not matching a feature would be "set aside" and a new "project" would consist only of those spectra that best match the feature list. You could consider building in some intelligence to allow for RT shifts, like "pick the matching spectrum with the highest total intensity within a specified m/z window, rather than just picking the one with the exact closest RT.