Changelog

1.6

1.6.12

• Remove EclipseSupplierFileIdentifier ChemClipse#2836

1.6.11

• Remove AMDIS folder process setttings OpenChrom#805
• Add a process data key to store and retrieve the combined mass spectrum ChemClipse#2835
• Reset Database Cache - create process method ChemClipse#2833
• Remove ChromatogramType EventHandler ChemClipse#2832
• PCA, refactor filter ChemClipse#2831
• Fix SGH ratio calculator in case settings are null. ChemClipse#2830
• Remove the scan cycles when running the scan density calculation. ChemClipse#2827
• Simplify and improve pref pages code ChemClipse#2824
• Remove redundant types and implements ChemClipse#2823
• Remove XPass system preferences ChemClipse#2822
• Remove Peak Detector system preferences ChemClipse#2821
• Remove unused Identifier preferences ChemClipse#2820
• Remove detector specific chromatogram filter system preferences ChemClipse#2819
• Remove Chromatogram Filter system preferences ChemClipse#2818
• Remove Baseline Detector preference category page ChemClipse#2817
• Remove Peak Integrator system settings ChemClipse#2816
• Port WNC system preferences to process settings ChemClipse#2815
• Unify PCR file name extension ChemClipse#2814
• Remove unused static methods in ChromatogramType ChemClipse#2812

1.6.10 (Analytica Edition)

• Don't round ions in NetCDF imports OpenChrom#802
• Stop the identification process when CANCEL is pressed in wizard. ChemClipse#2811
• Add the dynamic settings dialog to retrieve the identifier setting ChemClipse#2810
• Remove the no setting option method from the chromatogram identifer. ChemClipse#2809
• Don't remove file extension dots from PCR converters ChemClipse#2808
• Remove empty preference pages ChemClipse#2807
• Simplify ISupplierFileEditorSupport ChemClipse#2797
• Use ChromatogramEditorMSD partDescriptor in demo loading ChemClipse#2796
• Add reagent gas options for CI and an identifier transfer for MW. ChemClipse#2795

1.6.9

• Export Peak Width at 5% Height as CSV OpenChrom#799
• Calculating USP Tailing factor OpenChrom#797
• Remove Project Explorer OpenChrom#794
• Add an option to automatically calculate the best hybrid search MW. ChemClipse#2794
• Add NMR Save as ChemClipse#2793
• Fix AMDIS export paths ChemClipse#2787
• Simplify DynamicHandler classes ChemClipse#2783
• Calibration - add weighting option ChemClipse#2781
• Simplify the comparison update methods and display MS without targets. ChemClipse#2776
• InjectionException when IChromatogramSelection is null ChemClipse#2774
• Fix getting a valid shell to import the color schemes and to process. ChemClipse#2773
• Add initial support for SRM chromatograms from mzML ChemClipse#2772
• Remove not used PartSupport.get3xEditorPart ChemClipse#2771
• Fix Chromatogram Filter Subtract (UI) crashing ChemClipse#2770

1.6.8

• Removed the Project Explorer. ChemClipse#2767
• Removed the need for batch jobs to create projects beforehand. ChemClipse#2766 ChemClipse#2763
• Removed the need for calibration to create projects beforehand. ChemClipse#2754
• Removed the Peak Identification Batch Editor. ChemClipse#2764
• Removed manual peak detector. ChemClipse#2756
• Removed duplication in Area % Report. ChemClipse#2748
• Fixed Comparison Scan not showing reference spectrum without target. ChemClipse#2776
• Fixed PCA Analysis Editor color schemes. ChemClipse#2773
• Fixed a crash in Chromatogram Filter - Subtract (UI). ChemClipse#2770
• Fixed delete range not including the first scan when retention time was set to 0. ChemClipse#2758
• Added initial support for SRM chromatograms from mzML. ChemClipse#2772
• Added Peak Scan List target creation using clipboard. ChemClipse#2757

1.6.7

• Fixed a crash in reports that contain scan ranges. ChemClipse#2746
• Fixed Area % not reporting sample name when it said so. ChemClipse#2743
• Fixed performance after deleting multiple peaks in Peak/Scan list. ChemClipse#2741
• Fixed unknown marker sharing its settings with copy to clipboard. ChemClipse#2740
• Fixed file identifier always reporting zero matches in Feedback tab. ChemClipse#2738

1.6.6

• Added back an option to avoid 🟥 red fill of rectangular selection in charts. SWTChart#562
• Added dynamic settings to the scan identifier toolbar icons. ChemClipse#2731
• Added ☑️ settings to Data Explorer to work around performance problems with network drives. ChemClipse#2724
• Added private repositories to the plug-in installer UI. OpenChrom#789
• Fixed a crash in MALDI-ToF MS gel view. ChemClipse#2726
• Fixed drag and drop related crash on Windows. ChemClipse#2721
• Fixed themeing not loading all stylesheets. OpenChrom#787

1.6.5

• Added an optional file path to the CSV report. OpenChrom#782
• Added Bruker EVOQ (*.qqq) DART import converter.
• Added MALDI-ToF MS mass spectra centroidization. ChemClipse#2704
• Added a sortable Loadings Table per principal component. ChemClipse#2695
• Added highlights of error residuals in PCA charts. ChemClipse#2686
• Fixed scalable vector graphics being rendered too small. ChemClipse#2705
• Fixed legacy peak filter IDs not being recognized by process methods. ChemClipse#2124
• Fixed process quick access toolbar not showing plug-in contributed icons. ChemClipse#2701
• Fixed unrelated tiles being choosable on the welcome screen. ChemClipse#2690
• Fixed peaks imported from AMDIS not being marked as deconvoluted. ChemClipse#2688
• Fixed unknown marker not mentioning the correct number of peaks. ChemClipse#2689
• Fixed error messages about invalid peaks being too verbose. ChemClipse#2687
• Fixed crashes in process methods user interface. ChemClipse#2684
• Fixed a followup crash in referenced chromatogram selection. ChemClipse#2682
• Fixed a crash when .ocm process methods were removed. ChemClipse#2680

1.6.4

• Fixed PCA error residuals chart not updating. ChemClipse#2677
• Fixed PCA filter samples in long data format import not being retained. ChemClipse#2673
• Added empty values that fall back to system settings in Peak Review UI. OpenChrom#770
• Added a reader for MicrobeMS spectra multifile MALDI-TOF data. OpenChrom#769
• Added rebindable hotkeys to the Peak/Scan List. ChemClipse#2671
• Added highlighting to the PCA Loading/Score Bar Charts. ChemClipse#2670
• Added error log to store exceptions in Data Analysis. ChemClipse#2672 ChemClipse#2676
• Added clickable entries in the Edit History to display processing parameters. ChemClipse#2668
• Added a Loading Bar Chart for PCA. ChemClipse#2669
• Removed editing in the scan table. ChemClipse#2675

1.6.3

• Added more effective default values for MALDI-TOF MS Savitzky-Golay smoothing. ChemClipse#2667
• Added a filter to nominalize an MSD chromatogram and its references. ChemClipse#2662
• Added possibility to overlay multiple chromatograms in Chromatogram Peak Chart. ChemClipse#2656
• Added a label for polarity to Scan Chart/Table and Targets. ChemClipse#2652
• Fixed highlighting routines for PCA samples. ChemClipse#2665
• Fixed PCA variable/feature highlighting. ChemClipse#2660
• Fixed PCA views hidden in the background not updating when gaining focus again. ChemClipse#2653
• Fixed a crash when analyzing segments from total scan signals. ChemClipse#2664
• Fixed Data Explorer performance by reducing the number of file format checks again. ChemClipse#2663
• Fixed failed peak creation logging too verbose messages. ChemClipse#2657
• Fixed reading instruments from mzML files. ChemClipse#2655

1.6.2

• Fixed a crash on macOS related to axis redrawing. SWTChart#551
• Fixed a black ⬛ copied image on Linux with Wayland. SWTChart#550
• Fixed misclick protection being enabled by default in the chromatogram overlay. ChemClipse#2651
• Fixed PCA score table not being sortable. ChemClipse#2650
• Fixed an out-of-bounds crash in the PCA score bar chart. ChemClipse#2649
• Fixed molecule drawing service selection not updating. ChemClipse#2646
• Fixed secondary Y axis not updating. SWTChart#548
• Added mouse selection to PCA score bar plot. ChemClipse#2648
• Added a 🟥 red background to the 🤠 lasso selection. SWTChart#549
• Added full-size range selection. SWTChart#547

1.6.1

• Fixed PCA data unload for labels. ChemClipse#2636
• Fixed buffered selection causing black ⬛ charts with display zoom on Windows. SWTChart#546
• Added CDK as the default molecule image renderer. OpenChrom#755 ChemClipse#2643
• Added sample highlights to PCA Score bar plot. ChemClipse#2644
• Added bar chart 📊 for PCA long format import wizard. ChemClipse#2637
• Added a PCA score bar plot. ChemClipse#2632
• Added description and classification for PCA variables. ChemClipse#2636
• Added a filter to manually assign the mass spectrometer and spectrum type. ChemClipse#2635
• Added a filter to manually assign the precursor ions. ChemClipse#2634

1.6.0

• Workspace and Project Explorer folders inside the user directory are not versioned anymore and moved
  • from OpenChrom/1.5.x to OpenChrom
  • from .openchrom/1.5.x to .openchrom
• Security updates of dependencies as a precautionary measure:
  • Woodstox OpenChrom#749
  • SQLite JDBC OpenChrom#748
• Added support for HPLC-DAD .cdf ANDI/AIA files. OpenChrom#747
• Added text and group filter for long PCA file format import. ChemClipse#2622
• Added minor performance optimizations across the board. ChemClipse#2627 ChemClipse#2625 ChemClipse#2626 ChemClipse#2624
• Fixed sample name from mzML not being read when sample ID was used. ChemClipse#2618
• Fixed a crash in parsing mzML with HPLC-DAD spectra. ChemClipse#2617

1.5

see 1.5