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Refactor parsing of precursor data from spectrum files #162

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Commits on Jul 31, 2024

  1. Refactor parsing of spectrum data:

    - Clearer logging when parsing precursor info from spectrum files
    - Always check if PSMs match with spectra based on observed precursor m/z (if available in PSM list)
    - Always raise error if not all PSMs can be found in spectrum file(s), before MS²PIP
    - Provide example PSM IDs from both PSM and spectrum file when matching fails.
    - Move all code to parse_spectra
    RalfG committed Jul 31, 2024
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