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Implement better logging for PSM ID to spectrum ID matching #158

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RalfG opened this issue Jul 17, 2024 · 1 comment
Open

Implement better logging for PSM ID to spectrum ID matching #158

RalfG opened this issue Jul 17, 2024 · 1 comment
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@RalfG
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RalfG commented Jul 17, 2024

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.
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RalfG commented Aug 2, 2024

Partially addressed in #162

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