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Release v0.5.0

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@github-actions github-actions released this 22 May 11:10
v0.5.0
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Summary:

Major

File reading changed to AlphaRaw

  • This allows SciEx support. FF is not yet optimized for SciEX yet
  • Adjusted memory limits for raw conversion, raw conversion for Bruker is now faster
  • Bruker legacy files are supported with the one-click installer but not for the Python version anymore. Install python-lzf or install with the legacy requirements,
  • Working docker files

Minor

  • Option to change the top_n peptides
  • Option to select the initial score for ML scoring
  • Fixed a bug in peptide generation that would not consider the last AA
  • Added a new protease protease_dict["trypsin/p"] = "[KR]"
  • Small UI improvements

Performance:

  • Overall, Bruker runs should be 25% faster. We will expect further speed increases once the FF is exchanged
  • IDs dropped ~5%, but FDR estimates are well below 1% now

Full Changelog: v0.4.9...v0.5.0

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