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@novak-jiri novak-jiri released this 11 May 09:13
· 15 commits to master since this release
v1.2.748
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Learn about vigilant mode.

26.2.2018

Changes:

  • A custom list of neutral losses can now be defined for MS, MSI and MS/MS data.
  • Details of MS/MS spectra improved - matched peaks can now be filtered using a name of a ion series or using name of a neutral loss.
  • Settings dialog improved:
    • "Neutral Losses" - a modifiable list added.
    • "Maximum Number of Combined Losses" - settings added.
    • "Report Unmatched Theoretical Peaks" - checkbox added; performance improved if unchecked.
    • "m/z Error Tolerance for Deisotoping" - obsolete feature removed.
    • "Remove Hits of Fragments without Hits of Parent Fragments" - obsolete feature removed.
    • Obsolete scoring functions removed.
  • Unmatched theoretical isotope patterns can now be reported in MS, MSI and MS/MS mode.
  • Memory performance was improved.
  • OpenMS 2.3 is now supported.
  • Thermo raw files are now supported.
  • mzML support improved.
  • [M]+, [M]- ions added.
  • Bug fixed: the number of electrons was wrong if the m/z ratio of negative ions was calculated in "Generate Full Isotope Patterns" mode.
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