Releases
v0.12.0
Major changes:
Rewrote isotope and adduct detection logic to
handle absence of unlabelled parents ions and optional filtering based on parents
enable manual integration of any/all isotopologues using the compound widget
A uniform visual appearance across platforms along with many small UI/UX changes and fixes
Minor changes:
Improve emDB save behaviour (proper threading, safety checks, etc.)
Ability to save raw chromatogram and base peak spectra in emDB
Make auto-save optional and disabled by default
Update application session to reflect filtered samples (when filtering using sample search box)
Further improvement in peak-group deletion performance (from tables)
CLI-specific changes:
Allow saving peakdetector analyses as emDB files
Fix neural-net based quality assignment
Code changes/refactors:
Merged Database
and Databases
classes, added tests and moved to core
Removed isotope and adduct detection modules in favor of reusing the same peak-detection logic for both manual automated integration
Removed libpillow
as dependency
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