This latest version brings some minor updates and enhancements:
- Default change: Default negative adducts have been changed to H-1:-:0.8 H-3O-1:-:0.2
- Missing output data after peak picking have been resolved
- The issue with long file names in the alignment has been fixed
- Charge state handling in negative mode has been improved
- C13 detection is now only applied if the identification flag is set
- SIRIUS has been updated to 5.8.6
- MS2QUERY has been updated to 1.2.3
- New parameter
ignore_msms_mapping_charge_pyopenmshas been added to control the MS2 mapping if the charges are inconsistent between the consensus elements and the spectra
Thank you @axelwalter and @maxulysse for helping with this release.
Contributors
maxulysse and axelwalter