v0.10.0
Features:
- Improve untargeted detection #152 #313 #616 #1053
- Enable detection of common adducts #475
- Allow pushing session data directly to Polly projects
- Enable automatic notification and updates from within the application
- Visualize integrated area under peak-groups #782
- Export sample metadata file template #1171
UI/UX:
- Replaced icons new ones
- Add close buttons to all widgets #939
- Warn user about sample load failure #676
- Update isotope plot on peak-group selection #703
- Allow ignoring close event (with a “No” response)
- Make "Peak Detection" dialog more compact #1161
- Allow “unmarking” peak-groups #171
- Show “NA” for absent sample number in tooltip #358
- Add “Sample Number” column to samples widget #358
- View abundance in user-set quant type in isotope widget #571
- Draw baseline in-front of corresponding EIC #960
Bug fixes:
- Prevent CLI crash on invalid sample strings
- Perform time unit conversion for mzML scans #1176
- Incorrect peak count in results table
- Missing mz-intensity pairs from scans
- Mark C12 PARENT peak-group as same as parent #537
- Filter formula string for special characters #1168
- Export isotope labels in peak-detailed format
- Use double for Isotope object constructor #393
- Prevent updates to weights of neural network with subsequent detections
- Fix RT delta values not shown for untargeted+DB detection #1204
- Re-enable running concurrent sessions #1215
- Fix crash on switching tolerance sync button with empty EIC #1230
- Resolve compound suffixes over sessions #1003
- Fix internet connectivity check #1239
- Fix incorrect report of good peak count #1142
Misc:
- Read El-MAVEN's settings file in CLI #1163
- Add an option to export non-bad peak-groups #171
- Read normalisation factor from sample metadata
- Refactored and added doctest-based testing for JsonReports and CSVReports
- Replace random number generation with std library-based utilities
- Remove optional “user selected isotope” export
- Read neutral masses from compound DB (“mass” column)
- Allow RT-restriction for untargeted+DB matching #1203
- Parallelize mass-slicing step #250
- Remove “Getting Started” dialog