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czbiohub-sf / Rapid-QC-MS

Realtime quality control for mass spectrometry data acquisition
https://czbiohub-sf.github.io/Rapid-QC-MS
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Handle MS-DIAL annotations made without MS2 #55

Closed wasimsandhu closed 1 year ago

wasimsandhu commented 1 year ago

Annotations made without acquired MS2 occur when an MSP library (instead of a TXT library) is used. From Brian:

[Keep] it a match if m/z and RT are close but with some sort of asterisk saying MS1 and RT look good but MS2 didn’t match or wasn’t collected.