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Implement better logging for PSM ID to spectrum ID matching

Open RalfG opened this issue 1 year ago • 1 comments

Currently, it is not always clear whether matching PSMs to spectra (potentially with psm_id_pattern and spectrum_id_pattern) was successful. We can use the precursor m/z values from the PSM file (theoretical) and from the spectrum file (observed) to validate matching based on the IDs. If m/z's deviate too much, a warning should be logged.

RalfG avatar Jul 17 '24 11:07 RalfG

Partially addressed in #162

RalfG avatar Aug 02 '24 09:08 RalfG