Changelog¶
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