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FIEHNLAB-1820/Calculate all possible adducts for spectra

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@NolanGuzman97 NolanGuzman97 released this 18 Jul 16:05
· 41 commits to master since this release
6ee8dd6
  • Curation Runner has new process to calculate theoretical adducts. These are theoretical adducts are used for better similarity prediction with LC Binbase
  • Similarity service now has a new request parameter "checkAllAdducts", this is a boolean that when set to true will try to match the user provided precursorMz with all calculated theoretical adducts
  • Fixed bug in frontend where submitter.id was not persisting when a user uploaded spectra