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v1.2.0

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@RalfG RalfG released this 20 Nov 06:48

Added

  • io.alphadia: Read support for AlphaDIA precursors.tsv (#103 by @rodvrees)
  • io.fragpipe: Read support for FragPipe psm.tsv (#103 by @rodvrees)
  • io.diann: Read support for DIA-NN TSV (#103 by @rodvrees)

Changed

  • 💥 psm_list: When returning a PSM property across the full PSMList (e.g. psm_list["peptidoform"]), np.fromiter is now used instead of np.array. This fixes an issue where if all peptidoforms have the same length, a 3D array of parsed sequences (amino acids and modifications) was be returned instead of an array of Peptidoform object. However, this does mean that all resulting arrays will have the object dtype instead of the previously coerced dtypes. This might lead to issues downstream. (#102)
  • io.idxml: Make pyOpenMS an optional dependency, working around OpenMS/OpenMS#7600 for now. For idxml support, install psm_utils with the idxml extra dependencies. (#107 by @paretje)

Fixed

  • 🐛 io.pepxml: Fix modification location and mass parsing. Position had an off-by-one error and the reported mass was the sum of the residue and modification instead of the modification alone. (fixes #100, #104)

New Contributors

Full Changelog: v1.1.1...v1.2.0