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assignments 1.0.1

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@jasenfinch jasenfinch released this 13 Nov 10:13
· 4 commits to master since this release
2e386a4
  • The default ppm threshold has been reduced to 4.

  • The importance of the 37Cl adduct has been increased in the default negative mode adducts.

  • The 13C2 isotope has been removed from the default isotopes.

  • The default retention time difference limit for relationships has been changed to 2 seconds for RP-LC-HRMS and NP-LC-HRMS.

  • The absolute values of correlation coefficients are now used to calculate average component weights.

  • Where components contain a feature represented by more than one adduct and isotope combination, only the node with the highest AIS is now retained.