Changelog

1.5.0

20241030

• Added an Agilent OpenLab HPLC-UV/Vis converter. OpenChrom#565
• Added shorter names for Chromatogram Filters. ChemClipse#1922
• Added support for a trace 0 - 0 range indicating the whole range. ChemClipse#1920
• Added highlights in PCA plot when selected in sample list and vice versa. ChemClipse#1918
• Added help button to the PCA perspective. ChemClipse#1916
• Added a view to display the noise factor used to calculate the s/n ratio. ChemClipse#1915
• Added box selection in PCA score plot. ChemClipse#1914
• Added a View menu in the main menu matching the toolbar buttons to switch views. ChemClipse#1913
• Added a visual selection box to the PCA loading plot. ChemClipse#1911

20241018

• Added ion transitions to .mz5 and fixed MSn display. OpenChrom#564
• Set the .app name on macOS OpenChrom#563
• Added read/write support for TIC in mz5 chromatogram OpenChrom#562
• Fixed out-of-bounds column in template processor settings table. OpenChrom#561
• Optimize .mzDB for large spectra OpenChrom#560
• Optimize GAML for large spectra OpenChrom#559
• Load AnIML standalone mass spectra faster OpenChrom#558
• Fixed GC-MS → GC-FID peak transfer failing at lower scan rates. OpenChrom#556
• Added export to .mzMLb OpenChrom#554
• Added commercial extensions to Plugin installer for Open Source builds. OpenChrom#553
• Removed "Analytics Edition" suffix OpenChrom#552
• Fixed MSn spectra display for mzML files ChemClipse#1910
• Fixed mzXML precursor ion transition not being set. ChemClipse#1908
• Added box selection of features in loading plot and highlight in feature table to PCA perspective. ChemClipse#1907
• Fixed mzML precursor ion transition not being set ChemClipse#1906
• Fixed a crash when loading .ocb GC-FID via drag and drop. ChemClipse#1905
• Added "Export References Separately" and "Header Field (Export References)" to .ocb preferences. ChemClipse#1904
• Optimized mzML for large spectra ChemClipse#1903
• Optimized mzData for large spectra ChemClipse#1902
• Load mMass .msd files faster ChemClipse#1901
• Optimized mzXML import for large spectra ChemClipse#1900
• Added a Chromatogram Filter to recalculate scan delay/interval. ChemClipse#1899
• Removed redundant prefix from Delete Peaks combo. ChemClipse#1896
• Fixed invalid PDF body export. SWTChart#417

20241011

• Fixed a regression where ions would be zero with TIC still intact in Agilent LC-MS data.
• Fixed a crash in .mzXML MALDI-TOF MS data ChemClipse#1895
• Fixed a crash in .mzData reader when fields are missing ChemClipse#1894
• Fixed white spaces at the end of peak labels marked as unknown. ChemClipse#1888
• Added a reader for Applied Biosystem / SCIEX MALDI TOF/TOF data.OpenChrom#550
• Added a report writer that takes *.xlst as template. OpenChrom#549
• Added support for full centroided spectrum .mzDB not just TIC data. OpenChrom#546
• Added peak delete filter to be able to remove inactive or active peaks for analysis. ChemClipse#1892
• Added automatic migration of process methods to newer version ChemClipse#1891
• Added a retention index assigner dialog. ChemClipse#1884
• Added a obfuscator that replaces ions in scans/peaks with a random TIC value. ChemClipse#1883
• Added ppm and ± notation for high resolution MS data. ChemClipse#1886

20240927

• Added export for .mzDB files. OpenChrom#545
• Added support to extract high-res m/z values from GCxGC data. ChemClipse#1882
• Fixed a crash when export charts to PDF. SWTChart#416

20240920

• Added possibility to change the substance name afterward in Identifier Settings Wizard. OpenChrom#540
• Added .cdf export for GC-FID data. OpenChrom#539
• Added PCA group label wizard. ChemClipse#1878, ChemClipse#1879, ChemClipse#1881
• Added chart grid toggle button for multiple charts. ChemClipse#1877
• Added a faster default compression for .ocb files. ChemClipse#1874
• Added a switch target name and synonym switcher button. ChemClipse#1871
• Added support for standalone .cml mass spectra with peaks. ChemClipse#1869
• Fixed missing ion traces being marked as valid in Trace Ratio Calculator. OpenChrom#535
• Fixed Windows self-extracting archive not supporting long paths.

20240913

• Windows setup installer now requires admin rights.
• Added new Windows self-extracting archive for portable installation.
• Fixed Shimadzu chromatograms not being shown when the PDA chromatogram is empty.
• Time Ranges List is now sorted by start time by default ChemClipse#1867
• Added converter error highlighting in the Feedback tab. ChemClipse#1866
• Added mzML HPLC-DAD read/write support ChemClipse#1863
• Added process method ID when copying and pasting. ChemClipse#1864
• Added update of Feature Table Selection from Loading Plot on double-click- ChemClipse#1862
• Added FAQ to converter error dialog.

20240906

• Fixed accidental m/z round in various XML file formats. ChemClipse#1846
• Fixed Peak Review replaced peak losing identification record when Select Target is not set. OpenChrom#532 OpenChrom#531
• Fixed PCA editor not closing properly. ChemClipse#1852 ChemClipse#1851
• Fixed Selection of OPLS Y ChemClipse#1854
• Added faster 📈 chart zooming on all platforms. ChemClipse#412
• Added ... placeholders in case an axis label cannot displayed. ChemClipse#375
• Added a visual indicator for which side of the time range is selected. ChemClipse#1856
• Added high-res traces to the chromatogram overlay. ChemClipse#1855
• Added PCA chart selection highlighting the entry in the table. ChemClipse#1853
• Added MALDI-TOF MS peak annotations imported from mMass. ChemClipse#1850
• Added support for mMass 2.0 XML files ChemClipse#1849

20240830

• Removed PCA filter options. ChemClipse#1844
• Removed PCA option to filter variables which contains less than two values. ChemClipse#1842
• Added a right-click toggle for multiple items at once in PCA feature table. ChemClipse#1843
• Added more reusable converter related texts for natural language translation. ChemClipse#1837
• Fixed a regression regarding Save As 💾 in Database Editor when not using drag and drop. ChemClipse#1841
• Fixed a regression where Agilent *.L libraries would not open.

20240816

• Fixed Windows installer ignoring the installation directory parameter.
• Fixed login dialog not asking for a password again after entering a wrong one.

20240809

• Plugin Installer - 'Don't ask again.' flag is not tracked OpenChrom#526
• Add Chromatotec converter OpenChrom#525
• Fix unit test getting shipped ChemClipse#1834
• Peak Integrator - add a scale factor ChemClipse#1833
• Split first derivative peak detectors ChemClipse#1832
• Make Nipals usable as stand-alone ChemClipse#1831
• HeaderData Field Editor - support a regex expression to extract data ChemClipse#1830
• ChemClipse#1829
• Fixed a crash in TraceSettingUtil based preference editors ChemClipse#1828
• TableViewerFieldEditor.addItem: UnsupportedOperationException ChemClipse#1827
• Port program launching from AWT to SWT ChemClipse#1826
• Revert back to modifiable lists ChemClipse#1825
• Peak Integrator Trapezoid Preferences crashes ChemClipse#1824
• Batch process: sort by path if not sortable by name ChemClipse#1823
• Allow saving chromatogram exports and reports into the current directory ChemClipse#1822
• Allow cancel for MS database import operations ChemClipse#1821
• Chromatogram Filter Reshape - add option to select min or ms ChemClipse#1820
• Open Binary Format - export reference index with leading zeros ChemClipse#1819
• Molecule Part - show latest selection on focus ChemClipse#1818
• Molecule Part - select provider via a context menu ChemClipse#1817
• Update Vendor SWTChart#409
• ArrayIndexOutOfBoundsException - drawLineAndArea SWTChart#408
• Slide X|Y - add factor SWTChart#407
• MouseWheel - slide X and Y SWTChart#406
• Don't use multithread for the release build SWTChart#405
• Downgrade Maven. SWTChart#404
• Replace prerequisites with Maven enforcer SWTChart#403

20240726

• CDF - support to map MSD data to TSD OpenChrom#524
• Specific Editors - set a width hint OpenChrom#522
• Peak Identifier - Targets Transfer ChemClipse#1816
• Display Option - add combination 'Retention Index (Area%)' ChemClipse#1815
• Molecule Part - separate simple / extended molecule UI ChemClipse#1814
• Specific Editors - set a width hint ChemClipse#1813
• Quantitation List - provide list as content ChemClipse#1812
• Time Ranges Peak Identifier - add identifier and process support ChemClipse#1811
• Library Mass Spectrum Editor is broken ChemClipse#1810
• Preference Chromatogram Header Field ChemClipse#1809
• FileIdentifier - avoid FileNotFoundException ChemClipse#1808
• Library Information Parts - show latest selection & clear ChemClipse#1807
• grid on/off effect ChemClipse#1806
• chart.properties SWTChart#402

20240712

• Avoid interfaces with constants OpenChrom#521
• Add ADF/ASM to the converter installation dialog OpenChrom#520
• Page Size Option - fix to use mm OpenChrom#519
• Data Export - draw polygons OpenChrom#518
• Data Export - headless support OpenChrom#517
• VectorGraphics Export - add direct export option OpenChrom#516
• VectorGraphics Export - scale Y correctly OpenChrom#515
• Clear CustomSeries - peak/scan label marker ChemClipse#1805
• Chromatogram Filter - shift intensity ChemClipse#1804
• Improved Data Explorer file type detection performance ChemClipse#1803
• Add missing magic number check ChemClipse#1802
• Remove constant definitions on interfaces ChemClipse#1801
• Consolidate converter messages ChemClipse#1800
• Enable custom series for retention index marker ChemClipse#1799
• Enable Target Labels for CustomSeries ChemClipse#1798
• Custom Series - add polygon element SWTChart#401
• Custom Series - add point / rectangle converter SWTChart#400

20240705

• Update to Node 20 OpenChrom#513
• Header part shows no data and crashes ChemClipse#1797
• Sequence Record - add metadata map ChemClipse#1795
• Update to Node 20 ChemClipse#1794
• Drag and Drop for RI and MS Databases ChemClipse#1793

20240629

• Add unit test suites OpenChrom#511
• Add zoom out/reset icons ChemClipse#1792
• Ship the JavaDoc ChemClipse#1791
• Open Chromatogram Binary - reduce number of versions ChemClipse#1790
• Notify about converter errors when exporting ChemClipse#1789
• Optional code signing ChemClipse#1788
• Remove empty plugins ChemClipse#1787
• Update to Eclipse RCP 2024-06 ChemClipse#1786
• Register more chromatogram file associations ChemClipse#1785

20240621

• Try to speed up the CI build OpenChrom#510
• Prepare for save PCA-Matrix Dialog OpenChrom#509
• Shift range or chromatogram param OpenChrom#508
• Refactor the ChemClipse Test Suite ChemClipse#1784
• TimeRangesChart - convenient method to select next|previous range ChemClipse#1783
• Peak Filter - delete by peak model strict flag ChemClipse#1782
• Clear icon - add 64x64 version ChemClipse#1781
• Report issues at Jenkins ChemClipse#1780
• TimeRanges marker start|max|stop ChemClipse#1779
• Enable peak model - less strict ChemClipse#1777
• Save InLib factor in its respective field ChemClipse#1776
• Update DemoChromatogram peak targets metadata ChemClipse#1775
• Remove unused ChromatogramImportRunnables ChemClipse#1774
• Try to speed up the CI build ChemClipse#1773
• Display converter processing errors in the Feedback tab ChemClipse#1772
• Add Chromatogram Filter: padding empty scans ChemClipse#1771
• Retrieve container file size as long ChemClipse#1770
• Peak Model - calculate tailing simple model ChemClipse#1769
• Peak Model (Strict) - encapsulate tangent linear equation ChemClipse#1768
• Add Zero Cut Off Filter ChemClipse#1767
• Intensity Cut Off Filter - add intensity constraint ChemClipse#1766
• Build process - add Bill of Material bundle SWTChart#398

20240607

• PeakModel - prepare to use a less strict model ChemClipse#1765
• Retention Index Marker - add option to show label at bottom position ChemClipse#1764
• Track the chart export X and Y axis selection SWTChart#397

20240531

• SVG Export - x and y axis scales need to be adjusted OpenChrom#507
• Add themes plugins OpenChrom#506
• Drop dependency from 2022-12 release OpenChrom#505
• Chromatogram Peak Report - add Area [%] option OpenChrom#504
• Flathub Support OpenChrom#503
• Update contributor documentation ChemClipse#1763
• Delete Targets Filter - add property option ChemClipse#1762
• Update Tycho to 4.0.8 ChemClipse#1760
• Reduce superfluous dependencies ChemClipse#1759
• Retention Index Selector - retrieve the closest RI ChemClipse#1758
• FIN Library File - improve parsing name ChemClipse#1757
• DatabaseEditor fails to load a library ChemClipse#1756
• Add FT-IR *.csv converter ChemClipse#1755
• Reduced the size of the p2 update site ChemClipse#1754
• Peak Quantifier Process - supply the peak of the chromatogram selection ChemClipse#1753
• Unify PeakQuantifierSupport ChemClipse#1752
• Revert back to chart background instead of transparency for title texts SWTChart#395
• Make yRange checks less strict SWTChart#394
• Update to Eclipse 4.30 SWTChart#393

20240510

• Reduce superfluous dependencies OpenChrom#502
• VectorGraphics2D - export SVG, PDF and EPS scaled OpenChrom#500
• Classification Dictionary - use specific file extension ChemClipse#1751
• First Derivative Peak Detector - active option CB for GC-FID ChemClipse#1749
• Chromatogram Data Support - add convenient method for IChromatogram ChemClipse#1748

20240503

• Bump EclipseLink to version 4.0.2 OpenChromThirdParty#64
• Group Marker - remove area percent option OpenChrom#499
• Get Equinox SDK from mirrored server OpenChrom#498
• Trust the converter p2 update site by default OpenChrom#497
• Scan Chart - add clear method ChemClipse#1747
• Chromatogram References - enable to open VSD chromatogram ChemClipse#1746
• Extend openEditor method by a header field map ChemClipse#1745
• Add a progress indicator to the bottom right of the status bar ChemClipse#1744
• Trim Equinox SDK from update site ChemClipse#1743
• Chart - move selection on double click SWTChart#392

20240426

• Add an IdentifierSetting Edit Wizard OpenChrom#496
• Classifier - use color for concentration and unit OpenChrom#495
• Show an error message if converter installation fails OpenChrom#494
• Update Tycho and other Maven plugins OpenChrom#493
• Suspects Model / List OpenChrom#492
• VectorGraphics2D - ship with product OpenChrom#491
• Add a CAS# IValidator ChemClipse#1742
• Chromatogram Header Field - add a tags field for labels ... ChemClipse#1741
• Value Parser Support - handle upper case boolean values ChemClipse#1740
• Add Import Image (64x64) ChemClipse#1739
• Edit History - fix search toolbar ChemClipse#1738
• Edit History - track process method settings ChemClipse#1737
• Summarize the NIST result ChemClipse#1736
• Export "Open Chromatography Binary UI" settings page ChemClipse#1735
• Don't log the spawned process error stream ChemClipse#1734
• Don't directly put the WINEPREFIX ChemClipse#1733
• Add more logging and progress monitoring to external NIST ChemClipse#1732
• First Derivative Peak Detector - option chromatogram baseline ChemClipse#1731
• Remove LTK and PDE/JDT JUnit runtime ChemClipse#1730
• Update Tycho and other Maven plugins ChemClipse#1729
• Add some MALDI-TOF MS suitable spectrum comparators ChemClipse#1728
• Add a progress bar for NIST/AMDIS mass spectra export ChemClipse#1727
• Polish the Savitzky-Golay filter message ChemClipse#1726
• Ship MSD subtract HTML help table of contents ChemClipse#1725
• org.eclipse.chemclipse.chromatogram.msd.filter.supplier.subtract.ui/toc_filter.xml is not deployed ChemClipse#1724

20240405

• Refactor m/z and abundance limits OpenChrom#490
• Import CDF with RetentionUnit="s" specified OpenChrom#489
• Move RetentionIndexMarker to the SWT bundle ChemClipse#1723
• Delete targets fails if a scan/peak contains NIST-DB entries ChemClipse#1722
• NodeProcessorPreferences - make preferences available ChemClipse#1721
• Fixed progress reporting when running process methods ChemClipse#1720
• Process Settings - reset button handle changes ChemClipse#1719
• ProcessSetting - refactor preference page ChemClipse#1718
• Target Label - allow to adjust X and Y value ChemClipse#1717
• Process Method Recorder ChemClipse#1716
• Process Method - select profile interactively ChemClipse#1715
• Deprecate ion limit and abundance exceptions ChemClipse#1713

20240323 / 20240326

• IIdentificationTarget - don't translate the identifier OpenChrom#488
• Chart Export - set file name OpenChrom#487
• Adjust return type of service OpenChrom#486
• EJML to 0.43.0 OpenChrom#485
• Add the N2000 Chromatography Data System converter OpenChrom#482
• Resolve the dependencies manually (again) ChemClipse#1714
• Update Eclipse CBI to version 1.4.3 ChemClipse#1713
• Add the CBI repository ChemClipse#1711
• Update Tycho to version 4.0.6 ChemClipse#1710
• Enable code signing ChemClipse#1709
• IIdentificationTarget - don't translate the identifier ChemClipse#1707
• RDML multi channel support and export ChemClipse#1706
• Simplify the workaround for Tree.setImage crashes on Linux ChemClipse#1705
• Molecule Part - add copy to clipboard support ChemClipse#1704
• Chart Export - set file name ChemClipse#1703
• Fixed some inconsistencies in XML file format internal naming ChemClipse#1702
• Retention Index Importer ChemClipse#1701
• Add a simple CSV import converter for FT-IR ChemClipse#1700
• Cleanup feature licenses and copyright ChemClipse#1699
• Remove old version EJML ChemClipse#1698
• Scrollable Chart - set file name SWTChart#389

20240315

• Add an installer frontend for proprietary file format converters OpenChrom#481
• Migrate the AMDIS Peak Detector here OpenChrom#466
• Scan Chart UI - add update listener ChemClipse#1697
• Enable Peak Quantifier for WSD ChemClipse#1696
• Rename XIR to VSD everywhere ChemClipse#1695
• Add Eclipse platform as dependency ChemClipse#1694
• Fix NLS unused/missing message ChemClipse#1693
• Update to Eclipse RCP 2024-03 ChemClipse#1692
• Implement chromatogram batch job save as ChemClipse#1691
• Add UV/Vis JCAMP-DX support ChemClipse#1690
• Improved JCAMP-DX Infrared Spectroscopy compatibility ChemClipse#1689
• org.eclipse.chemclipse.chromatogram.msd.classifier → org.eclipse.chemclipse.chromatogram.xxd.classifier ChemClipse#1688
• Remove AMDIS peak detector ChemClipse#1687
• Organise techniques in the README file ChemClipse#1686
• Remove OpenChrom trademark ChemClipse#1685
• Implement NIST's SpectroML ChemClipse#1684

20240308

• Rename HPLC DAD Scan Signal API to Absorbance OpenChrom#465
• Rename ISD, XIR to VSD (vibrational spectroscopy) OpenChrom#464
• Clean up the data model around vibrational spectroscopy OpenChrom#463
• Chromatogram Filter: Header Transfer ChemClipse#1683
• Add initial support for UV/Vis spectroscopy data ChemClipse#1682
• Rename XIR to VSD in more occasions ChemClipse#1681
• Rename HPLC DAD Scan Signal API to Absorbance ChemClipse#1680
• Fixed #1678 - Rename ISD, XIR to VSD (vibrational spectroscopy) ChemClipse#1679
• Rename ISD, XIR to VSD (vibrational spectroscopy) ChemClipse#1678
• PCA - use default background in formula view ChemClipse#1677
• Remove German words in English translation ChemClipse#1676
• Clean up the data model around vibrational spectroscopy ChemClipse#1675

20240301

• Add formula, SMILES, InChI(Key) to CSV peak report OpenChrom#462
• Cleanup unnecessary references OpenChrom#461
• Chromatogram Filter - reshape chromatogram section references ChemClipse#1674
• Chromatogram Filter - split chromatogram into HighRes references ChemClipse#1673
• Add read/write support for Chemical Markup Language mass spectra ChemClipse#1672
• Chromatogram Filter - split chromatogram into MS/MS references ChemClipse#1671
• Chromatogram Info Part - show contained IonTransitions ChemClipse#1670
• Open Chromatography Binary - export references in separate files ChemClipse#1669
• Add read support for Chemical Markup Language IR spectra. ChemClipse#1668
• Header Data - add findings support ChemClipse#1666
• Clipboard Table Content - Value Delimiter ChemClipse#1665
• Wavenumber Subtractor - table option for subtract values ChemClipse#1664
• MethodProcessSupport - validate DataType correctly ChemClipse#1663
• IChromatogram - option to store temporary reference data ChemClipse#1662
• Part Stack Position - defaults ChemClipse#1661

20240223

• Peak Detector / Review UI - replace gray/inactive background by default OpenChrom#460
• Generate more compliant AnIML MS chromatography documents OpenChrom#459
• Read the AnIML audit trail OpenChrom#458
• Fixed problems exporting the wavelength in HPLC-DAD AnIML files OpenChrom#457
• Update to OPSIN 3.8 OpenChrom#456
• Use our own ATDD mirror server OpenChrom#455
• Fix a crash when writing HPLC-DAD referenced chromatograms ChemClipse#1660
• BackgroundMode - replace INHERIT_FORCE by DEFAULT ChemClipse#1659
• Export JDX Readers ChemClipse#1658
• Chromatogram Export CSV - export references ChemClipse#1657
• Saving referenced HPLC-DAD .ocb chromatogram fails ChemClipse#1656
• Molecule View - remember the user selection ChemClipse#1655
• TreeViewer Linux - option to display icons ChemClipse#1654

20240216

• Improve AnIML HPLC-DAD standard conformity OpenChrom#454
• Workaround a native crash in Data Explorer icon setting on Linux ChemClipse#1653
• NotDefinedException Scan Filter ChemClipse#1651
• Persist the process method UUID properly ChemClipse#1650
• Add new Chromatogram and Peak sub menus to the main menu ChemClipse#1649
• Reorder the file menu ChemClipse#1647
• Remove external programs menu ChemClipse#1646
• Refactor Target Label Marker (Constructor) ChemClipse#1645
• Fixed MissingResourceException in org.eclipse.chemclipse.processing ChemClipse#1644
• MissingResourceException: Can't find bundle for base name org.eclipse.chemclipse.processing.l10n.messages ChemClipse#1643
• Better error messages for processing ChemClipse#1642
• Use MethodConverter shortcuts ChemClipse#1641
• Adjust Chromatogram Filter ID ChemClipse#1640
• Move some chromatogram filters into range selection sub menu ChemClipse#1639

20240209

• Adjust SVG export OpenChrom#453
• Prefer a Docker solution to unverified Actions. OpenChrom#451
• CDF Import converter - fix ArrayIndexOutOfBoundsException OpenChrom#450
• ChromatogramChart - refactor range support ChemClipse#1638
• Translate menu entries from system supplied process methods ChemClipse#1637
• Fix spelling of mass spectrum in menus ChemClipse#1636
• Remove Peak "Background" visualization ChemClipse#1635
• Target Support - convenient method to get best IIdentificationTarget ChemClipse#1634
• Chromatogram Editor - display peaks without black background ChemClipse#1633
• Added polarity and progress bar to mzXML import ChemClipse#1632
• Add stack icon ChemClipse#1631
• Add Rich Text Format to HTML converter ChemClipse#1630
• Fixed PCA perspective task tiles not appearing ChemClipse#1629
• The PCA perspective lost its welcome screen ChemClipse#1628
• Cleanup Inject API usage ChemClipse#1627
• Fix Data Explorer items not always rendering correctly ChemClipse#1625
• Try to workaround a native crash in Data Explorer icon setting on Linux ChemClipse#1624
• Update to Eclipse 2023-12 ChemClipse#1623
• Update Tycho to version 4.0.5 ChemClipse#1621
• Update Eclipse to 2023-09 ChemClipse#1620
• Update Eclipse to 2023-06 ChemClipse#1619
• Editor - Retrieve Chromatogram Selections ChemClipse#1618
• Refactor comments/code SWTChart#388
• Line Series - Area Strict Option SWTChart#387
• Replace deprecated createImage by createImageWithDefault method SWTChart#386
• The Inject annotation has been replaced by the Jakarta version. SWTChart#385
• Fix resource leak issue SWTChart#383
• Don't print unnecessary exception SWTChart#381
• org.eclipse.swtchart.extensions bundle activation prints unnecessary exception to syserr SWTChart#380

20240129

• Remove PDFJet Export Converter OpenChrom#448
• Template Report - add option to format concentrations OpenChrom#447
• Try to fix a native crash in SWT TreeViewer icon setting on Linux ChemClipse#1617
• Add a multi-page PDF chromatogram report ChemClipse#1616
• Retention index export - sort the entries by Retention Time ChemClipse#1615
• Fix wrong folder ChemClipse#1614
• Chromatogram Retention Indices - Export Option ChemClipse#1613
• TimeRangeDialog / Enable Resizable Option ChemClipse#1612
• Translate SVG export menu in German SWTChart#378

20240119

• PreferenceInitializer - default initialization part III OpenChrom#447
• PreferenceInitializer - default initialization part II OpenChrom#446
• PreferenceInitializer - replace by default initialization OpenChrom#445
• CDK - molecular mol weight/exact mass support OpenChrom#444
• Harmonize the column type description ChemClipse#1611
• RetentionIndexMap - add isEmpty and start/stop RI method ChemClipse#1610
• Chromatogram Overlay - keep time selection when changing settings ChemClipse#1609
• Retention Index Recalculator ChemClipse#1608
• Add instrument to the measurement info API ChemClipse#1607
• PreferenceInitializer - default initialization part III ChemClipse#1606
• Targets Drag'n'Drop Windows - add option ChemClipse#1605
• PreferenceInitializer - default initialization part II ChemClipse#1604
• Preference Supplier Support - rename ChemClipse#1603
• PreferenceInitializer - replace by default initialization ChemClipse#1602
• MassSpectrum Library Editor - layout control ChemClipse#1601
• Chromatogram MSD - store combined mass spectrum ChemClipse#1600
• Target Support - fix NPE ChemClipse#1599
• IPreferenceSupplier - add default method for initialization ChemClipse#1598
• Process Supplier - enable adding literature references ChemClipse#1597
• Data Explorer - select process method ChemClipse#1596
• Data Explorer - select method directory ChemClipse#1595
• Chromatogram Editor - update references / alignment toolbar ChemClipse#1594
• Chromatogram Splitter (SCAN, SIM) ChemClipse#1593

20231222

• Add a JMol based image renderer OpenChrom#443
• Preserve "User Location" ChemClipse#1592
• Fix error "Please select a quantitation table." always appearing when entering the second external standard ChemClipse#1591
• Enable expanding to last directory again ChemClipse#1584

20231215

• Fixed a crash when deleting targets. ChemClipse#1582
• Fixed a crash upon first start when switching to Data Explorer. ChemClipse#1575
• Added undo/redo to targets, removing a popup warning. ChemClipse#1585
• Added a section for time ranges in the import dialog. ChemClipse#1576
• Sorted the perspective dialog alphabetically. ChemClipse#1583

20231201

• Fixed a crash when MOLstructs are empty. OpenChrom#438
• Add a code signing profile OpenChrom#436
• Add WavelengthTableEditor ChemClipse#1574
• Additional constructor for Marked WaveWavelengths ChemClipse#1573
• Feature WSD Spectrum based on marked wavelengths ChemClipse#1572
• Add more fields from MassBank ChemClipse#1571
• Method Editor - enable multipe selection ChemClipse#1569
• Propose new API for instrument type and ionization mode ChemClipse#1568
• Changed polarity from String to Enum ChemClipse#1567
• Unknown Target - add retention index marker option ChemClipse#1566
• Peak/Scan List - show all peak profiles (CTRL + A) ChemClipse#1565
• Data Explorer - prevent that files are loaded twice ChemClipse#1564
• TSD - add converter service adapter for ISD ChemClipse#1563
• Add an ISD data type rasterizer ChemClipse#1562
• Move RasterizeCalculator to the core bundle ChemClipse#1561
• Update Tycho to version 4.0.4 ChemClipse#1560
• Add sample name field to UI ChemClipse#1559
• Custom method to get/set status of "Buffered Selection" SWTChart#377

20231117

• Improve MS/MS support OpenChrom#434
• Standardize sample name in measurement API ChemClipse#1558
• Remove redundant crossing point per well API ChemClipse#1557
• Add read support for MS/MS fields from MassBank .msp files ChemClipse#1556
• Display the PCR noiseband ChemClipse#1555
• RegularLibraryMassSpectrum - add properties map and MS/MS support ChemClipse#1554
• Improve PCR channel and subset selection ChemClipse#1553
• Localize PCR perspective ChemClipse#1552
• TSD - add converter service adapter for MSD/WSD ChemClipse#1551
• Use system fonts everywhere ChemClipse#1550
• Some minor updates to the Explorer UI ChemClipse#1549
• Add write support for RDES ChemClipse#1548
• Format externalized strings consistently SWTChart#376
• Axis tick labels are not properly shown in some cases SWTChart#375
• Polished the title and the example background colors SWTChart#374
• Localize the chart legend SWTChart#373

20231110

• Fixed Template Peak Detector UI using a greyish background color OpenChrom#433
• Services - handle NPEs OpenChrom#432
• Switch default font name to Verdana ChemClipse#1546
• Chromatogram Filter - clip scans by scan number ChemClipse#1545
• Switch default font name to Verdana SWTChart#371

20231103

• Converter bundle rename chemclipse -> ocx OpenChrom#431
• Hook up reset defaults for list settings OpenChrom#430
• Add support to restore default processor settings OpenChrom#429
• Refactor IUpdateListener/IUpdateListenerUI support OpenChrom#428
• Comparison Result - refactor matches/ratings OpenChrom#427
• Compensation Quantifier - consider group field OpenChrom#426
• Use the silent builder in more places OpenChrom#425
• Update Maven to 3.9 OpenChrom#423
• BaselineModel - add copyFrom method ChemClipse#1544
• ChromatogramEditor3x - fails to load CSD and WSD ChemClipse#1543
• Added read support for older RDML versions ChemClipse#1542
• Fixed a native crash in SWT TreeViewer labelling on Linux ChemClipse#1541
• Fixed color compensation being enabled by default when there is none ChemClipse#1540
• Rename supplier.chemclipse to supplier.ocx ChemClipse#1539
• Update Apache Commons ChemClipse#1538
• Added basic read support for RDML ChemClipse#1537
• Fixed a memory leak in Database Editor ChemClipse#1536
• TimeRange Label cycling option ChemClipse#1534
• Interactive scan/peak target delete and identification shortcuts ChemClipse#1533
• Refactor IUpdateListener/IUpdateListenerUI support ChemClipse#1532
• Added a button to restore default processor settings ChemClipse#1531
• Comparison Result - refactor matches/ratings ChemClipse#1530
• Chromatogram Model - add finalized status ChemClipse#1529
• Icon - add 64x64 add/open image ChemClipse#1528
• Preference Supplier - add postfix option ChemClipse#1527
• Consider group in quantitation entry ChemClipse#1526
• Fixed optional setting fields requiring a value set ChemClipse#1525
• Added progress bars to the File Identifier ChemClipse#1524
• Annotate required setting fields ChemClipse#1523
• Added support for settings with 8 or 16 bit data types ChemClipse#1522
• Quantitation Entry - add group field ChemClipse#1521
• Restore defaults for settings ChemClipse#1520
• Time Range - support to shift retention times via the editor ChemClipse#1519
• Icon - editor top/bottom ChemClipse#1518
• Add clickbinding help screens ChemClipse#1516

20230915

• Export/Import *.msl - enable to use additional fields ChemClipse#1515
• Retention Index File - format retention time ChemClipse#1513
• PCA - add value option for peak data ChemClipse#1512
• Add the UTF8 two button mouse symbol SWTChart#369
• Added a help dialog for mouse and keyboard combinations SWTChart#368

20230908

• Remove NMR related data type FID OpenChrom#421
• Adjust Batch Job NMR OpenChrom#420
• Add Chromatogram Alignment Service Facilities OpenChrom#419
• Added MassBank Japan as an option OpenChrom#418
• CDK updates OpenChrom#417
• Graphics2D - support rectangle and line OpenChrom#416
• OSGi Support for Identification OpenChrom#415
• Remove Splash dependency OpenChrom#414
• Improve Graphics2D export options OpenChrom#413
• Remove NMR related data type FID ChemClipse#1511
• Batch Process - saving data types fails, support ISD ChemClipse#1510
• Export filter.supplier.scan.core package ChemClipse#1509
• Revamp PCR tabular reporting settings ChemClipse#1508
• Update Jakarta XML Binding ChemClipse#1507
• ExtendedTargetsUI - add edit update listener ChemClipse#1506
• Check date format of header data ChemClipse#1505
• Custom Series - modify target label marker ChemClipse#1504
• Add drag & drop image ChemClipse#1503
• Peak Internal Standard / Concentrations ChemClipse#1502
• Apply chart settings after modifying ChemClipse#1501
• Fixed a null reference exception in the welcome screen tile definition ChemClipse#1500
• Chromatogram Editor - move toggle legend button ChemClipse#1499
• Added our own implementation of SPLASH spectra hash ChemClipse#1498
• Add convenient method to open a browser URL ChemClipse#1497
• Method Editor - sort supported data types ChemClipse#1496
• Custom Series - add support for rectangle and line SWTChart#367
• Support Custom Series (Experimental) SWTChart#365
• Plot Area - enable to draw centered image and text SWTChart#364

20230825

• Open Chromatography Method - file dialog shortcuts ChemClipse#1495
• Process Method Dialog - enable ISD checkbox ChemClipse#1494
• Fixed empty columns in PCR export breaking Excel auto-sort ChemClipse#1493
• Chromatogram ISD - add subtract filter ChemClipse#1492
• Update wavenumber overlay shortcut ChemClipse#1491
• Chromatogram ISD - add a wavenumber calibration filter ChemClipse#1490

20230818

• Fixed Agilent FULL.D libraries reader and allow cancellation of imports.
• VectorGraphics - test export options OpenChrom#412
• Question about peak identifier OpenChrom#411
• Refactor Classifier OpenChrom#410
• Harmonize open file in system editor OpenChrom#409
• Use AutoClosable for FileOutputStream OpenChrom#408
• Harmonize FileDialog usage OpenChrom#407
• Harmonize menu categories OpenChrom#406
• OSGi Support for Deconvolution OpenChrom#405
• Chromatogram Peak Report (*.csv) - print all columns option OpenChrom#404
• Opening projects and batch jobs (on different computers) OpenChrom#403
• GC-FID data: automatinc peak detector / integrator not working OpenChrom#402
• Fixed Wikidata query from name failing ChemClipse#1489
• Fixed method input widget being inconsistently styled ChemClipse#1488
• Chromatogram Overlay - add support for ISD chromatograms ChemClipse#1487
• NIST Scan Export Converter (*.msl and *.msp) ChemClipse#1486
• NLS missing message ChemClipse#1485
• Update MethodSupportUI when changing/saving methods ChemClipse#1484
• Editor Toolbar Processor - keep sort order ChemClipse#1483
• Icons - add vector image icon ChemClipse#1482
• Regular Expression (Tester) ChemClipse#1481
• Interactive File Export Processor - use syncExec ChemClipse#1480
• Open Chromatography Binary (*.ocb) - dynamic export processor ChemClipse#1479
• Calibration File Export - prefer chromatogram name ChemClipse#1478
• Refactor Classifier - they shall be not restricted on MSD data only ChemClipse#1477
• Calibration Processor - open in system editor option ChemClipse#1476
• Harmonize open file in system editor ChemClipse#1475
• Literature Support - parse alternate DOI links ChemClipse#1474
• Harmonize FileDialog usage ChemClipse#1473
• Harmonize menu categories ChemClipse#1472
• Add an interactive Calibration (*.cal) file export option ChemClipse#1471
• PCR Settings - refactor to use INSTANCE directly ChemClipse#1470
• Retention Index Calculator - add time shift option ChemClipse#1469
• High/Low Pass Peak Filter - add Area/Height option ChemClipse#1468
• Clipboard needs to be disposed ChemClipse#1467
• Service to retrieve ILibraryInformation entries via synonym, ... ChemClipse#1466
• Fixed Open With in Data Explorer ChemClipse#1465
• Series Mapper - catch problems when import settings SWTChart#363
• Clipboard needs to be disposed SWTChart#362
• SVG Export - refactor the template method SWTChart#361
• Clipboard Copy Action - support specific handlers e.g. 'image/svg+xml' SWTChart#360
• Refactor SVG LineSeries Export SWTChart#359

20230728

• IIdentificationTarget - unify getting target/library information OpenChrom#401
• Removed MSqBAT library OpenChrom#400
• IIdentificationTarget - unify getting target/library information ChemClipse#1464
• Open Chromatography Binary - add monitor message ChemClipse#1463
• Processor - Retention Index Curator ChemClipse#1461
• IExtendedPartUI - SWT.PUSH and SWT.TOGGLE option ChemClipse#1460

20230714

• Improve FT-IR and Raman models OpenChrom#399
• Internal Standards - adjust response factor field OpenChrom#397
• Added links to MassBank OpenChrom#396
• Use a shared license for the license agreement OpenChrom#395
• QuantRatio Measurement Results - display the name OpenChrom#394
• Quant Ratio Export - adjust file extension OpenChrom#393
• Quant Ratio Classifier - add column "Response Factor" OpenChrom#392
• Added support for the MicrobeNet MALDI XML format OpenChrom#391
• Improve FT-IR and Raman models ChemClipse#1459
• Get ILibraryInformation from Peak ChemClipse#1458
• Main Toolbar Tooltips ChemClipse#1457
• Internal Standards - adjust response factor field ChemClipse#1456
• Chromatogram Editor - decorate GridLine button ChemClipse#1455
• Retention Index Export Derive Option ChemClipse#1453
• Retention Index Assigner ChemClipse#1451
• Calibration *.cal Export - curate names ChemClipse#1450
• Added a web link button to Scan Chart and Scan Table ChemClipse#1449
• Chromatogram Editor - replace JFace Actions/Toolbar ChemClipse#1447
• Retention Index - Extrapolation ChemClipse#1446
• Use a shared license for the license agreement ChemClipse#1445
• Update to Java 17 SWTChart#358

20230630

• Updated Tycho to 3.0.5 OpenChrom#390
• Avoid SpecificationValidator for *.ab1 files OpenChrom#389
• Drop support for SPECLUST .zip files OpenChrom#388
• Added an integration test for reading/writing *.animl MSD chromatograms OpenChrom#387
• Added integration tests for the FT-IR *.gaml converter OpenChrom#386
• Improved File Explorer performance of *.mgf files OpenChrom#385
• Enable FileContentMatcher for additional data types OpenChrom#384
• Improved *.gaml file explorer performance and added unit tests OpenChrom#383
• Improved .cdf file explorer performance OpenChrom#382
• Improved .animl file explorer performance OpenChrom#381
• Added support for CAS Common Chemistry OpenChrom#380
• Add a link to The Good Scents Company Information System OpenChrom#379
• Updated Tycho to 3.0.5 ChemClipse#1443
• Improved *.msd and *.dx Data Explorer performance ChemClipse#1442
• Improved Data Explorer performance for *.cal *.xy and *.mpl ChemClipse#1441
• Improved CSV Peak Importer Data Explorer performance ChemClipse#1440
• Drop support for .zip mass spectra databases ChemClipse#1439
• Enable processors for ISD chromatograms ChemClipse#1438
• Enable FileContentMatcher for additional data types ChemClipse#1437
• Integration Area Part - show details ChemClipse#1436
• Added a Wikidata target identifier ChemClipse#1435
• Time Range Selection via arrow keys fails initially ChemClipse#1434
• Fixed missing file content matcher default implementation for PCR, NMR, Sequences and Quantitation DBs ChemClipse#1433
• Added support for mulitple Target Identifiers ChemClipse#1432
• Improved File Explorer performance by doing deep content checks only on click ChemClipse#1431

20230623

• Reduced memory footprint of HPLC-DAD chromatograms OpenChrom#378
• Settings Editor - make editor fit into space of preference page OpenChrom#377
• Assigner / Referencer Editor - fill table OpenChrom#376
• Standards Assigner - make validator reusable OpenChrom#375
• Peak Detector Template - enable to select the peak type OpenChrom#374
• org.eclipse.ui.console should be not used in the model bundle ChemClipse#1430
• Reduced memory footprint of HPLC-DAD chromatograms ChemClipse#1429
• Settings Editor - make editor fit into space of preference page ChemClipse#1428
• Retention Index / Time Ranges editors ChemClipse#1427
• Process Method - unify method name handling ChemClipse#1426
• PeakType Labels - fix closing brackets ChemClipse#1425
• Handle error when parsing user settings ChemClipse#1424
• Method support - refactor the method dialog options ChemClipse#1423
• SWT - Text/StyledText with disabled copy & paste option ChemClipse#1422
• Added some generic types and code cleanups ChemClipse#1421

20230616

• Fixed .mzMLb converter OpenChrom#373
• Chromatogram Template Report - specific extension *.tsv OpenChrom#372
• Removed generics from export converters OpenChrom#371
• mzML output validation errors OpenChrom#370
• Move tests into test subdirectory OpenChrom#369
• Chromatogram Filter - adjust generics OpenChrom#367
• Added basic drag & drop functionality to Data Analysis ChemClipse#1420
• Added mzML file format and software vocabularies ChemClipse#1419
• Added more decimal places to exact masses from mzXML ChemClipse#1418
• TimeRangesChart - add an option to skip the range/point selection ChemClipse#1417
• Increased mzML standards compliance and openMS compatibility ChemClipse#1416
• TimeRangesChart - handle accidental clicks ChemClipse#1415
• Removed generics from export converters ChemClipse#1414
• Reduced suppressed warning rawtypes ChemClipse#1408
• Removed generic typing in *ChromatogramFilter ChemClipse#1407
• Chromatogram Peak Labels - add combine option for selections ChemClipse#1406
• Added abundance ranges to Chromatogram Filter → Chromatogram Selection (Select Range) ChemClipse#1405
• Area Selection - set specific cursor SWTChart#356
• Delete series - speed up deleting all series SWTChart#355
• Scrollbar - enable moving forward/backward by mouse double click SWTChart#354

20230526

• Code cleanup in PDF Reporting OpenChrom#366
• Added peak resolution to CSV report OpenChrom#365
• Replaced deprecated EJML fields OpenChrom#364
• Adjust import/export file extensions for ISTD assigner/referencer OpenChrom#363
• Template Report - add options Area % and Concentrations OpenChrom#362
• Chromatogram CDF Reader - fix NPE OpenChrom#361
• Deprecate the command line processor extension point OpenChrom#360
• Fixed append image report not combining images ChemClipse#1404
• Added a chromatogram image export ChemClipse#1403
• Add convenient support for the JFace PreferenceStore ChemClipse#1402
• Open Chromatogram Binary - validation save peaks ChemClipse#1401
• Transform Chromatogram to MSD or CSD ChemClipse#1400
• Added Peak Resolution calculation ChemClipse#1399
• Retention Index Marker Editor - update table ChemClipse#1398
• Update to EJML 0.43 ChemClipse#1397
• Add "Tangent Skim" peak type option ChemClipse#1396
• Chromatogram Target Labels - add "Area [%]" option ChemClipse#1395
• Preference Supplier - use default methods ChemClipse#1394
• Reduce the complexity of the application ChemClipse#1393
• PCA - fix part styling ChemClipse#1392
• Group Handler Peaks - add synonyms, columns ... parts ChemClipse#1391
• Update LibraryInformationPart ChemClipse#1390
• Refactor Peak Classifier Support & Processing Handling ChemClipse#1389
• Fixed ScrollableChart crashing on initializing SWTChart#352
• NullPointerException when setting background color on uninitialized charts SWTChart#351

20230505

• Fixed wizard chart backgrounds not being white OpenChrom#359
• Fixed UI Detector/Review wizards in dark mode OpenChrom#358
• Template Report Extension - specific extension OpenChrom#357
• Unify Linux Combo/ComboViewer workaround OpenChrom#356
• Removed ChemClipse source dependency OpenChrom#355
• Fixed the RI Calibration wizard chart backgrounds ChemClipse#1388
• Fixed Calibration Index Creation Wizard in Dark Mode ChemClipse#1387
• Paint backgrounds white again ChemClipse#1386
• Fixed wrong scan edit label background color on focus change ChemClipse#1385
• Style charts and tables instead of tabs ChemClipse#1384
• Chromatogram Header - improved edit support ChemClipse#1383
• Chromatogram Overlay - fix styling part ChemClipse#1382
• Chromatogram Overlay - add option to display data type ChemClipse#1381
• Chromatogram Editor - add option to open editor only once ChemClipse#1380
• Chromatogram Editor - display header field as tooltip ChemClipse#1379
• Chromatogram Converter - check if extension is set ChemClipse#1378
• Chromatogram Model - add link to master when adding a reference ChemClipse#1377
• Data Import - separation column mapping ChemClipse#1376
• Draw line for y selection ChemClipse#1375
• Use StAX to check for mzML chromatograms vs. spectra ChemClipse#1374
• Divisor Chromatogram Filter is broken ChemClipse#1373
• Unify Linux Combo/ComboViewer workaround ChemClipse#1372
• Peak List - display number of selected peaks/scans ChemClipse#1370
• Fixed Y-axis backgrounds SWTChart#350
• Fixed axis background using outdated chart backgrounds SWTChart#349
• Added CSS support SWTChart#348
• Unify Linux Combo/ComboViewer workaround SWTChart#347

20230424

• Dispose the isotope heatmap OpenChrom#354
• Fixed the Console view not displaying anything ChemClipse#1369
• Fixed tabs becoming greyish on double tap ChemClipse#1368
• Improved Windows dark mode further ChemClipse#1367
• Fixed theme problems on Windows ChemClipse#1366
• Added per theme CSS styling ChemClipse#1365
• Dispose the heatmap widget ChemClipse#1364
• IntensityGraphFigure is not properly disposed ChemClipse#1363
• Update to Tycho 3.0.4 ChemClipse#1362
• Update SLF4J and add Logback to diagnose thirdparty library problems ChemClipse#1361
• Removed dependency on SLF4J ChemClipse#1360
• Added UI responsive monitoring ChemClipse#1359

20230317

• Tables - enable column order and width tracking by default OpenChrom#353
• Fixed CSV Peak Report exporting the master chromatogram twice when reporting references OpenChrom#352
• Preference Page - Validations Import/Export Path OpenChrom#351
• Position Adjuster - addChangeListener support OpenChrom#350
• Fix labels - plural form OpenChrom#349
• Fixed toolbar text resetting when unrelated settings are changed ChemClipse#1358
• Tables - enable column order and width tracking by default ChemClipse#1357
• Table - dynamic copy to clipboard settings ChemClipse#1356
• CAS Validation ChemClipse#1355
• Template Peak Detector Options ChemClipse#1353
• Added back white background to charts ChemClipse#1352
• Preference Page - Validations Import/Export Path ChemClipse#1351
• Preference Page - Validations Import/Export Path ChemClipse#1350
• WNC - fix preference handling ChemClipse#1349
• Set specific chart types - required by SVG export ChemClipse#1348
• Scan Table - apply search on update ChemClipse#1347
• Literature Part - enable multiple references ChemClipse#1346
• Fix labels - plural form ChemClipse#1345
• Gap Filler - extend for ISD data type ChemClipse#1344
• Chromatogram Filter - add a scan merger filter ChemClipse#1343
• ChromatogramISD - enable Savitzgy-Golay Filter ChemClipse#1342
• ScanISD - enable adjust Total Signal ChemClipse#1341
• Fixed Apache POI dependencies ChemClipse#1340
• Updated to Eclipse RCP 2023-03 and Nebula 3.0.0 ChemClipse#1339
• Translate MSD Classifiers ChemClipse#1338
• Set specific chart types - required by SVG export SWTChart#346
• Fix labels - plural form SWTChart#345
• Update to Eclipse 2023-03 SWTChart#344
• Removed hard-coded background color as it seems to vary between systems SWTChart#343
• SVG export label is broken SWTChart#342
• Removed hard-coded backgrounds SWTChart#341

20230311

• Time Ranges Chart - add a point selection position marker ChemClipse#1337
• Fixed a null chromatogram crashing the whole batch process ChemClipse#1336
• Code cleanup ChemClipse#1335
• Downgrade Apache Commons CSV to 1.8 again ChemClipse#1334
• Avoid Orbit to speed up target platform resolution ChemClipse#1333
• Retention Index Calculator - store index entries in chromatogram ChemClipse#1332
• Update Tycho and downgrade Maven ChemClipse#1331
• Enable unit tests that used unavailable file format converters ChemClipse#1330
• Fixed molecule view not preferring offline services ChemClipse#1329
• Added icons for library metadata parts ChemClipse#1328

20230303

• IPreferenceSupplier - get/put OpenChrom#348
• Mol Weight Calculator - also calculate the formula OpenChrom#347
• Support for Raman scattering signals ChemClipse#1325
• Time Ranges Chart - enable previous/next time range via keys ChemClipse#1324
• Literature Part - add search bar and DOI link ChemClipse#1323
• Processor System Settings (Targets Part) ChemClipse#1322
• Time Ranges Chart - add point selection option ChemClipse#1321
• Retention Index Settings Support ChemClipse#1320
• Open Chromatography Binary - System Settings ChemClipse#1319
• IPreferenceSupplier - add default methods to get/put values ChemClipse#1318
• Identification Target - enable Drag & Drop support ChemClipse#1317
• Peak Filter - delete peaks by trace ChemClipse#1316
• Intensity Cut Off Filter for chromatograms ChemClipse#1314
• Chromatogram Export *.ocb - improve peak validation ChemClipse#1313
• Enabled default Eclipse themes ChemClipse#1312
• IChromatogram TSD/ISD - set file via import converter ChemClipse#1311
• Localized Chromatogram Filters ChemClipse#1310

20230224

• Support for LC-Raman and GC-FTIR models OpenChrom#346
• Remove MS constraint from the CDK implementation OpenChrom#345
• Quantitation - compensate result OpenChrom#344
• Improvements - Chromatogram Report (*.csv) enhancement OpenChrom#341
• Small maintenance on CDK / OPSIN integration OpenChrom#340
• Add detector/model support for LC-Raman and GC-FTIR ChemClipse#1309
• Classifier (Assign) - add option use best match ChemClipse#1308
• Flip English and German translation for CSD Peak Detector ChemClipse#1307
• Library Collector *.msl ChemClipse#1306
• Add back "Export Table Selection" ChemClipse#1305
• Localized org.eclipse.chemclipse.chromatogram.csd.* ChemClipse#1304
• Peak Filter - add a peak filter to remove unverified targets ChemClipse#1303
• Identification Target - refactor manually verified ChemClipse#1302
• Localized Support UI ChemClipse#1301
• Added a new interface for detector neutral library identification ChemClipse#1300

20230217

• Fixed a crash in .mzML reading when the sample is not defined. ChemClipse#1274
• Fixed a crash in the time range dialog. ChemClipse#1275
• Fixed a regression where processor quick access toolbar icons were missing. ChemClipse#1277
• Fixed adding header data via UI working. ChemClipse#1296
• Added missing German translation to the charting. SWTChart#339
• Added a button to the Targets view to open the corresponding PubChem entry in a browser. ChemClipse#1298
• Sort the separation column index markers. ChemClipse#1299
• Automatically update edit history when editing Chromatograms. ChemClipse#1297
• Added experimental support for a ChemStation like weighted quadratic regression. ChemClipse#1293
• Added molecule image from Wikidata and PubChem. ChemClipse#1286 ChemClipse#1288 ChemClipse#1290
• Added in-app documentation to the Targets part including hotkeys. ChemClipse#1291
• Added German translation to Peak Integrator Trapezoid. ChemClipse#1281
• Added an option to label targets in the PCA view by both substance name and CAS registry number. ChemClipse#1279
• Added support for sequences of UV-Vis chromatograms in .AnIML format and improved compatibility. OpenChrom#339

20230203

• First Derivative Settings WSD - fix translation ChemClipse#1273
• HPLC-DAD - create a wavelength remover filter ChemClipse#1272
• Added mzXML metadata and an integration test case ChemClipse#1271
• Compound Quant Editor - the editor crashes ChemClipse#1270
• Add mzData 1.04 and metadata support with integration tests ChemClipse#1269
• Fixed inconsistent language settings ChemClipse#1268
• Removed unrelated entries from the import/export file menu ChemClipse#1267
• File Import/Export contain unrelated entries ChemClipse#1266
• Added a message that changing language requires a restart ChemClipse#1264
• Added read support for mzML metadata ChemClipse#1263
• Added read support for legacy mzML 1.0 ChemClipse#1262
• Open Chromatography Binary - validate peaks on export ChemClipse#1260
• Localized the First Derivative peak detector ChemClipse#1259

20230127

• Refactor Retention Index Selector ChemClipse#1258
• Added Drag & Drop to the Chromatogram Batch Editor ChemClipse#1257
• Fixed chromatogram help only working when the chart was clicked prior ChemClipse#1256
• Colors - add color schemes and refactor ChemClipse#1255
• Fixed a resource leak in mass spectrum overlay ChemClipse#1253
• Resource leak when quitting with open MALDI mass spectra ChemClipse#1252
• Added a Pseudo Gel view ChemClipse#1251
• SWT Resource was not properly disposed SWTChart#329
• Series Legend - add an option to keep the original description SWTChart#328
• Series Mapper - add a dynamic option to assign the settings SWTChart#327
• Add Code of Conduct and Notice information SWTChart#326

20230120

• Fixed the calculation of the quadratic equation. ChemClipse#1236
• Fixed bad performance of large PCA feature tables. ChemClipse#1238
• Fixed a crash in Chromatogram Peak Chart. ChemClipse#1242
• Fixed a crash when saving as .ocb with invalid peaks. ChemClipse#1246
• Fixed a crash when chart labels are empty. SWTChart#325
• Fixed perspective and view switcher showing unlocalized strings ChemClipse##1250
• Added specific types to map GC-IMS, GCxGC etc. OpenChrom#337 ChemClipse#1241
• Added a workaround for the file dialog on Windows not setting the initial directory. ChemClipse#1234

20230111

• Peak Detector / Review UI - show/hide peaks OpenChrom#336
• Template Peak Detector - reference based on Retention Index OpenChrom#335
• Template Peak Detector - mixed normal and reference identifier OpenChrom#334
• Quantitation Bundle - refactor bundle name OpenChrom#333
• Rename CDK Identifier Bundle OpenChrom#332
• CSV Report - peak width in minutes instead of milliseconds OpenChrom#331
• Chromatogram Editor - update after executing the process method ChemClipse#1233
• Peak Detector / Review UI - show/hide peaks ChemClipse#1232
• Fixed chromatogram chart using incompatible display types ChemClipse#1231
• ChromatogramSelectionMSD cannot be cast to IChromatogramSelectionWSD ChemClipse#1230
• Fixed unzoom when holding Chromatogram scrollbar with Targets part open ChemClipse#1229
• IPreferenceStore - use setValue instead of putValue ChemClipse#1228
• Quantitation References - validation ChemClipse#1227
• Targets Part - display retention time column correctly ChemClipse#1226
• Localize part of org.eclipse.chemclipse.ux.extension.xxd.ui ChemClipse#1225
• Refactor Series Settings Mapper ChemClipse#1224
• Quantitation Bundle - refactor bundle name ChemClipse#1223
• Generalize - peak quantitation support ChemClipse#1222
• Peak /Scan List - indicate that the width is displayed in minutes ChemClipse#1221
• Chromatogram Scan/Peak Label Editor - add RT & RI ChemClipse#1220
• Flavor Marker Part - show literature in a styled editor ChemClipse#1219
• PCA - indicate creating feature data matrix ChemClipse#1217
• Fixed Axis title font not getting disposed SWTChart#323
• Fixed test charts not getting disposed SWTChart#322
• Series Mapping - handle export dialog modifications SWTChart#321
• Extended Menu - pie charts bulk color / description editing SWTChart#320
• Refactor Series Settings Mapper SWTChart#319
• Compress - fix Null Pointer Exception SWTChart#318

20221216

• Harmonize SeparationColumnType and RetentionIndexType OpenChrom#330
• Added an option to label peaks/scans with numbers ChemClipse#1216
• Added back the HTML help viewer ChemClipse#1215
• Updated to Eclipse 2022-12 ChemClipse#1213
• Renamed hidden home folder directory name ChemClipse#1211
• PCA - import sample template ChemClipse#1210
• Update to Eclipse 2022-12 SWTChart#317
• Fixed CircularSeries#getPieSliceFromPosition not using the Y axis position SWTChart#314
• Added an application defined data object associated with each slice SWTChart#313
• Chart Options - static final SWTChart#309
• Make getPixelCoordinate(...) a public method SWTChart#307

20221202

• Template Detector / Identifier - allow negative start / stop coordinates OpenChrom#328
• Peak Detector / Review - add a delta retention time to prevent replacing the wrong peak OpenChrom#326
• Peak Detector / Review UI - focus on relevant peaks OpenChrom#325
• Added an .mzMLb integration test OpenChrom#324
• Review isPeakRelevant() method OpenChrom#323
• Added a small .mz5 test case OpenChrom#322
• Fixed .mzDB OpenChrom#321
• Fixed missing execute icon in NMR view OpenChrom#320
• Removed the Chromatogram Overview default chart title ChemClipse#1208
• Chromatogram Statistics Part - add additional values ChemClipse#1207
• Add a chromatogram statistics part ChemClipse#1206
• Chromatogram Target Labels - select the n-highest peaks ChemClipse#1205
• Peak Quantitation List - sort quantitation results ChemClipse#1204
• ChromatogramPeakChart - improve the updatePeaks function ChemClipse#1202
• Improve Basic Peak Models ChemClipse#1201
• Chromatogram Overlay - lock zoom and focus selection ChemClipse#1200
• LibraryField - add options ChemClipse#1199
• GTK ComboViewer Background ChemClipse#1198
• Fixed Feedback view not getting highlighted on error ChemClipse#1197
• Peak/Scan List - delete scan targets is broken ChemClipse#1196
• Time Range Input - enable autocomplete ChemClipse#1195
• Time Range - support user defined labels and initial values ChemClipse#1193
• Chromatogram Filter - select Retention Index by column ChemClipse#1192
• Flavor Marker - add manually verified option ChemClipse#1191
• ILibraryInformation - add index field ChemClipse#1190
• Box Plot SWTChart#306

20221118

• Fixed .pkf stream not closing OpenChrom#318
• Crash on Linux OpenChrom#317
• Relabeled the PCA perspective ChemClipse#1189
• Add a Quick Access button ChemClipse#1188
• Fixed no Windows drives but C:\ being shown in the Data Explorer ChemClipse#1187
• Changed Toolbar order ChemClipse#1179
• Harmonize SeparationColumnType and RetentionIndexType ChemClipse#1176
• Fixed broken segment width and window size settings ChemClipse#1173
• Use IonRange instead of int array, add accessor ChemClipse#1170

20221028

• Removed separation column enum internal name ChemClipse#1164

20221021

• Template Processor - export field editors OpenChrom#314
• Process Entry - add an option to skip validation for label display ChemClipse#1163
• CalibrationMethod - support human friendly names ChemClipse#1162
• Scan Duplicator - avoid retention time shift ChemClipse#1161
• PCA Perspective - add feature data matrix export option ChemClipse#1160
• PCA Perspective - enable feature selection/deselection ChemClipse#1159
• Improve the processor preference page ChemClipse#1158
• Report Settings - show placeholder options ChemClipse#1157
• Updated Orbit to 2022-09 ChemClipse#1156
• Added (.zip) containers ChemClipse#1155
• Buffered Selection - remove label experimental SWTChart#305

20221007

• Scan Chart - combo box opaque on Linux/GTK ChemClipse#1154
• Extend the file export and report placeholder ChemClipse#1153
• Export the cheat sheets ChemClipse#1152
• Clipboard - support for image and text data SWTChart#304

20220930

• Refactor Compensation Quantifier OpenChrom#307
• Refactor Quant Ratio Classifier OpenChrom#306
• Compensation Quantifier Editor OpenChrom#305
• PCA - display the explained variance ChemClipse#1151
• Added "Cheatsheets" (interactive Tutorials) ChemClipse#1150
• Sequence Support - match file extension ChemClipse#1149
• Dynamic Settings Manager - add sort option ChemClipse#1146
• Time Ranges UI - add select previous/next button ChemClipse#1142
• Fixed the PCA Files tile label ChemClipse#1140
• Refactor assets support ChemClipse#1139
• Renamed Mass Spectrum List ChemClipse#1138
• PCA - create binary file for data exchange ChemClipse#1135
• Allow both upper and lower case for MS database file endings ChemClipse#1134
• PCA - update labels on selection ChemClipse#1131
• Added more dark mode coloring ChemClipse#1132
• PCA - enble variable color support ChemClipse#1128

20220913

• Added a table input to the Peak Compensation Quantifier. OpenChrom#304
• Added color handling, sample / feature selection, auto updates, export, label selection to the PCA Editor. ChemClipse#1125, SWTChart#302
• Fixed .cal file ending being duplicated ChemClipse#1124

20220902

• Fixed saving and filename display of .animl chromatograms. OpenChrom#285
• Fixed PCA colors not updating when changing settings. ChemClipse#1113
• Fixed .cal file selection not working with upper/lower case in the Calibration Editor ChemClipse#1123
• Fixed Windows and macOS icons at higher resolutions. OpenChrom#299
• Fixed file converters getting chosen for directories. ChemClipse#1112
• Fixed performance for Mass Spectra handling slightly. ChemClipse#1109
• Added settings table for Standards Referencer and Assigner. OpenChrom#300
• Added labels to the Template combo boxes OpenChrom#298
• Added header option and additional fields to the Quantitation Report. ChemClipse#1114
• Added a Retention Index Calculator based on saved settings instead of files. ChemClipse#1121
• Added a German translation of the main menu. ChemClipse#1122
• Added an UI optimized for dark mode. ChemClipse#1118, SWTChart#300

20220819

• Added a build optimized for Apple M1.
• Added icons to CSV report and template processors. OpenChrom#296
• Added a tabular input to the template integrator. OpenChrom#295
• Added support for .btmsp databases consisting of multiple main spectra projections. OpenChrom#294
• Added a reference identifier column to the Peak Quantitation list. ChemClipse#1111
• Added a delete quantitation references Peak Filter ChemClipse#1110
• Added a title based on user input in the PCA editor ChemClipse#1107
• Added a Scan Duplicator filter to artificially increase the scan density ChemClipse#1104
• Fixed signal value in Scan Chart and Scan Table maxing out at a fixed value ChemClipse#1100
• Fixed diagram reset always selecting the first peak ChemClipse#1106
• Fixed hidden editor toolbars not updating with more than one chromatogram ChemClipse#1105

20220805

• Fixed .animl saving and filename display. OpenChrom#286
• Added icons to the right-click menu. OpenChrom#287. ChemClipse#1097, ChemClipse#1093, SWTChart#299, SWTChart#296
• Added context-sensitive help. ChemClipse#1099
• Added a right-click menu to the PCR chart. ChemClipse#1094
• Added *.cal export for GC-FID. ChemClipse#1092
• Added process methods to the CTRL + 3 command menu. ChemClipse#1089
• Added undo/redo to all filters that delete peaks. ChemClipse#1087
• Added partial German translations. SWTChart#298

20220714

• Added user configurable .csv and .xlsx PCR reports. ChemClipse#1086
• Added a gray scale color scheme to Chromatogram Overlay. ChemClipse#1082
• Changed the Peak Detector Template file extension to *.pdt OpenChrom#280

20220708

• Added an optimal low-resolution MS ion rounding scheme. ChemClipse#1081
• Added undo/redo to Savitzky-Golay smoothing on MSD chromatograms ChemClipse#1079
• Added an option to the Peak Integrator to disallow negative areas. ChemClipse#1078
• Fixed combo box background being transparent on Ubuntu's default Yaru theme. ChemClipse#1080

20220701

• Added options to enable a fixed range for the axis in Scan Chart. ChemClipse#1076
• Added an option to sort the trace export from Scan Chart.ChemClipse#1075
• Fixed combo box background being transparent on Ubuntu's default Yaru theme. ChemClipse#1063, ChemClipse#1070
• Added Peak Filter - Activate/Deactivate by Classification ChemClipse#1069, ChemClipse#1067
• Added default .msl file extension for Combined Scan Export ChemClipse#1066
• Added support for CAS and Reference ID in Peak Classifier (Assign) ChemClipse#1065
• Fixed Peak Classifier (Assign) failing when case-sensitive is deselected ChemClipse#1064
• Fixed special chars like ; or | breaking the Template Processor. OpenChrom#277

20220614

• Added a filter to delete peaks by a given quantitation limit. ChemClipse#1062
• Added support for classifying mass spectra from databases. ChemClipse#1061
• Added a tab to switch in the Targets list. ChemClipse#1060
• Removed optional plural forms from UI labels. ChemClipse#1058
• Changed the Named Traces file extension to *.ntr ChemClipse#1057
• Changed the Time Ranges file extension to *.tra. ChemClipse#1056
• Fixed measurement overlays never disappearing. ChemClipse#1055
• Added functionality to create a combined spectrum from a list of spectra. ChemClipse#1054
• Changed Peak Identifier Template file extension to *.pit OpenChrom#275
• Added quantitation for the selected peak to Peak Review UI. OpenChrom#274
• Added manual targets to the Template Review UI. OpenChrom#273
• Changed the Peak Review Template file extension to *.prt. OpenChrom#272
• Changed the Time Ratio Classifier file extension to *.tir. OpenChrom#271
• Added support for Time Ratio Classifier via process methods. OpenChrom#271
• Added a compiler for peaks and scans in the Time Ratio Classifier. OpenChrom#271
• Changed the Trace Ratio Classifier file extension to *.trr. OpenChrom#270
• Added support for Trace Ratio Classifier via process methods. OpenChrom#270
• Added a compiler for peaks and scans in the Trace Ratio Classifier. OpenChrom#270
• Changed Named Traces file extension to *.ntr OpenChrom#270
• Changed Time Ranges file extension to *.tra OpenChrom#270

20220527

• Fixed selected / combined scan buttons being enabled when no chromatogram is loaded. ChemClipse#1052
• Added an option to identify a chromatogram against a Library File (MS) entry. ChemClipse#1053
• Added possibility to create a Combined Scan from chromatogram selection and peaks instead of scans. ChemClipse#1051
• Added an *.msl export converter for the Combined Scan part. ChemClipse#1050
• Added a system setting for MSD model preferences. ChemClipse#1049
• Fixed input popup appearing when no chromatogram is set in Time Ranges Chart. ChemClipse#1043
• Fixed PCR editor save as crashing on @KDE. ChemClipse#1040
• Fixed zero values being ignored in the HPLC-DAD ARW converter. ChemClipse#1037

20220517

• CSV Report
  • Disable the editor when system settings are chosen. OpenChrom#256
  • Label the columns to differentiate. OpenChrom#256
  • Fixed fields getting skipped when no content is available. OpenChrom#264
  • Added peak width fields. OpenChrom#264
  • Avoid brackets to create compatible .csv OpenChrom#264
• Added Retention Index to Template Processors OpenChrom#253, OpenChrom#254
• Added position adjustments on current selection OpenChrom#255
• Added a chromatogram filter to calculate the RI using information from scans. OpenChrom#258 ChemClipse#1033
• Added an option to define the match quality for transferred peaks. OpenChrom#260
• Added tab, comma, semicolon and whitespace delimiter options to .xy ChemClipse#1035
• Added a limit match factor and quality to the SGH-C Classifier. ChemClipse#1032
• Added integration based on HPLC-DAD wavelengths. ChemClipse#1028
• Fixed file saving problems on Linux ChemClipse#1027
• Fixed molecule resize and scaling. ChemClipse#1034

20220506

• Added Traces Export Option: Named Traces. ChemClipse#1003
• Added quantitations to .ocb exports. ChemClipse#1005
• Added baseline models to .ocb exports. ChemClipse#1006
• Added a setting to mark peaks with hidden targets ChemClipse#1008
• Fixed .mzXML with namespaces not being read. ChemClipse#1009
• Fixed asking to save chromatograms twice on exit. ChemClipse#1019
• Fixed AMDIS setting being initialized with invalid paths. ChemClipse#1022

20220408

• Added parser support for .cdf peaks OpenChrom#237
• Added .gaml peaks without baseline as identified scans. OpenChrom#242
• Added a streamlined PCR perspective. ChemClipse#984
• Fixed Peak/Scan List scrolling to top upon multi selection ChemClipse#987
• Fixed Time Range Selection modifying time ranges out of selection. ChemClipse#988
• Fixed PCA demo data export and processing ChemClipse#992
• Fixed Console not being displayed in Data Analysis. ChemClipse#993
• Added QuantitationEntry support for n signals. ChemClipse#994
• Added setting pages for scan identifiers in the Scan Chart. ChemClipse#998
• Added read only cell access to selected values. ChemClipse#1000
• Added peak based PCA by retention index. ChemClipse#1001

20220325

• Fixed a crash when .gaml files contain peak data but no baseline. OpenChrom#228
• Fixed peak table lagging when scrolling with arrow keys ⬇️ ChemClipse#973
• Fixed perspective switcher, asking for a change when switching to current perspective. ChemClipse#970
• Fixed multi selection in Peak/Scan List. ChemClipse#968
• Fixed wizards force closing when double-clicking a file. ChemClipse#967
• Fixed a crash in Scan Comparison. ChemClipse#955
• Fixed a crash in the Scan Table. ChemClipse#940
• Fixed a crash when system settings are saved in the batch process. ChemClipse#933
• Fixed Peak/Scan List not updating when setting new Target Scan by quick access button in Scan Chart. ChemClipse#935
• Fixed welcome screen never disappearing on current macOS. SWTChart#254 OpenChrom#128 ChemClipse#688 OpenChromThirdparty #13 ChemClipse#962 ChemClipse#944 ChemClipse#941
• Added dark mode high DPI compatible icons. OpenChrom#234 ChemClipse#959 ChemClipse#951 ChemClipse#946
• Added a check for missing traces in Peak Review Direct. OpenChrom#221
• Added a new red 🟥 color scheme for task tiles. ChemClipse#971 ChemClipse#726
• Added bigger fonts on macOS ChemClipse#958

1.4.0

see 1.4.0