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MZmine 3.3.0 - Released 10.12.2022

Main changes:

  • Factor of lowest mass detector (robinschmid)
  • MZmine now licensed under MIT license
  • Fix GCMS workflow (asmirn1, tnguy271)
  • Isotope filtering fixes (robinschmid, SteffenHeu)
  • Update TDF import (SteffenHeu)
  • 3D Massvoltammogram visualisation (WesMark)
  • Batch mode updates (robinschmid)
  • HILIC preset for wizard (SteffenHeu)
  • Batch spectral library generation from feature list (robinschmid, SteffenHeu)
  • MS2 spectra denormalisation (robinschmid)
  • MS/MS quality scores (SteffenHeu, robinschmid)
  • Alignment scores (robinschmid)
  • Updated targeted feature detection (SteffenHeu)
  • Fixed visualizations & link to online documentation (omokshyna)
  • new themes (SteffenHeu)
  • MSn peak picking module fixed (SteffenHeu, robinschmid)
  • MetaboAnalyst export fixed (robinschmid)
  • Fix NIST MS Search (Kevin-Murray)

Full changelog:

Change Contributor
Remove beta from version robinschmid
Lowest factor mass detecotr, keep >0 robinschmid
Add warning log and icon for incorrectly centroided files robinschmid
Update .mailmap Tomas Pluskal
Removed offline help from feature filtering omokshyna
Create codeql-analysis.yml SteffenHeu
Feature list methods help fix omokshyna
Fix #888 concurrent mod in JFreeChart paint robinschmid
update default ms2 grouping selection (true = default) SteffenHeu
Fix bug in advanced data import = noise level was MS1 for both robinschmid
add CompDbAnnotation -> CommentType to the feature list SteffenHeu
Grid mass fix omokshyna
Patch out of bound in IsotopeFinder robinschmid
add removeRedundant isotopes to rows filter SteffenHeu
Resolvers help fix omokshyna
Fix no data in tdf SteffenHeu
Ransac aligner preview fix omokshyna
Add online help for Alignment and Normalization modules omokshyna
Varun plot bug fix varunotelli
Fix preview in Spectral Deconvolution (MCR and Hierarchical Clustering) asmirn1
Enable preview robinschmid
fix shoulder peak filter not keeping file selection SteffenHeu
Fix and rename MultiMsMsVisualizer --> SpectraStackVisualizer robinschmid
Massvoltammogramme WesMark
fix MobilityScanMering always summing SteffenHeu
Frame visualiser SteffenHeu
Remove the Swing fontchooser dependency tomas-pluskal
License change to MIT license tomas-pluskal
Tdfsdk 2 21 SteffenHeu
Annotations & Visualization online help update omokshyna
fix concurrent mod exception in ImsExpanderTask SteffenHeu
Bug fix - getScanNumbers Kevin-Murray
Advanced batch mode robinschmid
Fix advanced batch mode robinschmid
Fix some issues in Spectral Deconvolution / Hierarchical Clusters #925 asmirn1
Empty scans handling omokshyna
Update datatype loadsafe SteffenHeu
Update manual picker SteffenHeu
fix class cast in MirrorChartFactory SteffenHeu
fix selected mz mobilogram and chrom in IMSRawDataOverviewPane SteffenHeu
Update normalization SteffenHeu
Feature intensity plot omokshyna
add option to clear specific annotations SteffenHeu
Start dia msms impl SteffenHeu
Batch library generation robinschmid
Merge minrelative SteffenHeu
fix wring xml name SteffenHeu
add ims type supported to Isofinder and rowsfilter SteffenHeu
fix adap error spam SteffenHeu
add DataType#getDefaultVisibility SteffenHeu
add multiple precursor mzs to scan table SteffenHeu
Msms quality SteffenHeu
resolved alignment issue tnguy271
Lib export refinement SteffenHeu
Distance of MS2 to apex robinschmid
add new simple learner module robinschmid
FragmentScanSelection to select MSn spectra (merged and single) robinschmid
pass actual file to ims expander SteffenHeu
dont merge msms during export unless user wants to SteffenHeu
Fixed issue where selected scan is null after normalization tnguy271
add spectra merging to ims raw data overview SteffenHeu
New GNPS json parser robinschmid
fix issue in alignment task where selected scans is null tnguy271
Change Range to window (float) for precursor isolation window robinschmid
Mass detection status omokshyna
MGF file format option for Batch and Single library export robinschmid
Export all data types to mgf robinschmid
Fix multichoice parameter robinschmid
Minor fixes omokshyna
Added mass detection for IMS data overview omokshyna
Update to JDK19, keep javafx16 robinschmid
Fix chart graphics export clone issue robinschmid
Update wizard SteffenHeu
Tag modules from the wizard as IMS ready SteffenHeu
Fixes SteffenHeu
Denormalize MSn spectra robinschmid
add selected scans to MsnPeakPickingTask SteffenHeu
Alignment scores after alignment robinschmid
Update image builder parameters SteffenHeu
Themeparameter SteffenHeu
Targeted update SteffenHeu
Clean up alignment scores and FeatureListUtils robinschmid
More consistent theme, fix lipid class parameter SteffenHeu
Compound annotation score uses alignment score robinschmid
Fix metaboanalyst robinschmid
Tdf and tsf date import SteffenHeu
version 3.3.0 robinschmid

Last update: December 9, 2022 23:47:46