Fixes for reading Sciex MRM3 files and better WIFF error handling

ProteoWizard / pwiz

The ProteoWizard Library is a set of software libraries and tools for rapid development of mass spectrometry and proteomic data analysis software.

http://proteowizard.sourceforge.net/

Apache License 2.0

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Closed chambm closed 1 month ago

chambm commented 1 month ago

made failures reading WIFF metadata optionally fatal (depending on ignoreUnknownInstrumentError setting)
fixed ignoreUnknownInstrumentError default value to be false
fixed reading CE from WIFF file spectra
added fallback handling for when calling centroiding or framing zeros on WIFF2 spectra throws exceptions but the profile/unframed spectra are available
- added Reader::Config::instrumentMetadataError to encapsulate the "if(unknownInstrumentIsError) throw; else print warning" logic