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Use Rust for parsing spectrum files #141

Merged
merged 4 commits into from
Apr 7, 2024
Merged

Use Rust for parsing spectrum files #141

merged 4 commits into from
Apr 7, 2024

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RalfG
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@RalfG RalfG commented Apr 6, 2024 •
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Changed

  • Missing precursor information (retention time and ion mobility) is now parsed in Rust using mzdata and timsrust, adding the new ms2rescore-rs package. This change also adds support for Bruker TDF and miniTDF raw files for this feature.
  • Use single quotes (') instead of back ticks when logging strings for improved Rich formatting.
  • Reactivate tests in CI.

Fixed

  • Fix writing of FlashLFQ output file with Mokapot when PSM List run fields are empty.

@RalfG RalfG marked this pull request as ready for review April 7, 2024 17:00
@RalfG RalfG merged commit 4f1ff2e into main Apr 7, 2024
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@RalfG RalfG added this to the v3.0.3 milestone Apr 9, 2024
@RalfG RalfG deleted the use-ms2rescore_rs branch April 9, 2024 07:49
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