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Updated ion type definitions, output information, and batch mode

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@RuotoloLab RuotoloLab released this 22 Oct 16:14
· 36 commits to main since this release
42f2e3b
  • Updated ion type definitions. User can now select CID or ECD (it will make sure the correct ion types are used). Other electron-based fragmentation chemistries will be added upon user request.
  • For internal fragment searches, output now contains mass resolution used to generate theoretical isotope envelopes and tolerance error for matches.
  • Batch mode is now available for internal fragments (several searches can be run automatically).