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Big changes to MATCH BETWEEN RUNS

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@trishorts trishorts released this 19 Nov 19:50
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What's Changed

  1. Transcriptomics Digestion and Fragmentation by @nbollis in #801
  • Introduced support for handling RNA data within the UsefulProteomicsDatabases project.
  • Add new properties and caching to oligo digestion
  • Add RNA sequence and database handling and related test cases
  • Refactor and enhance RNA and oligo handling in tests
  1. Neutral Mass Spectrum by @nbollis in #806
  • Created a 'NeutralMassSpectrum' class to represent a spectrum read off of a deconvoluted file by deriving the MzSpectrum.
  1. Scan Filter in Averaged Spectra by @nbollis in #808
  • This change ensures that the ScanFilter property is properly set, improving the accuracy and completeness of the scan data
  1. MSFragger Results Folder Reader by @mzhastings in #792
  • efficiently access MsFragger results using the full results folder rather than accessing each psm.tsv file within the folder individually
  1. Get Modifications from Full Sequence by @nbollis in #796
  • Added two methods in IBiopolymerWithSetModifications allowing one to get out a list or dictionary of modifications from the full sequence and a dictionary of all known modifications
  1. Changes to MBR within FlashLFQ by @Alexander-Sol in #802
  • attempt to locate a decoy peak for each acceptor peak
  • All MBR peaks are fed into a binary classifier
  • For each file, Q-Values are calculated for each MBR peak by ranking them in PEP order and performing target-decoy competition
  1. Fixed decoy order by @Alexander-Sol in #809
  • decoys are sorted before they are returned to ensure that the list of Proteins is ordered the same way every time.