FIEHNLAB-1820/Calculate all possible adducts for spectra
NolanGuzman97
released this
18 Jul 16:05
·
41 commits
to master
since this release
- 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