Changelog - OpenChrom/openchrom GitHub Wiki
- Detector & Review UI - enabled CB peak detector option OpenChrom#674
- AMDIS - fix setting 'Adjacent Peak Subtraction' OpenChrom#672
- Move dependencies into host plug-ins OpenChrom#671
- Revert POI to 4.28 orbit version OpenChrom#670
- Remove GradientCanvas OpenChrom#669
- Fix SWT Resources disposal runtime warnings in installer OpenChrom#668
- Comparison Spectrum - enable to subtract/identify dynamically ChemClipse#2319
- PCA, Add Evaluation as generic base of EvaluationPCA ChemClipse#2318
- Peak Target - Penalty Calculation Filter ChemClipse#2316
- PCA, add type to EvaluationPCA to remove wildcard types downstream ChemClipse#2314
- PCA, refactor, cleanup SVD ChemClipse#2313
- Classifier Support - clear set and offer convenient update option ChemClipse#2312
- PCA, fix error when dialing pc selector in score and loading plots ChemClipse#2311
- PCA, facilitate pre-processing with centering but no scaling ChemClipse#2310
- Scan Comparison - improve handling ChemClipse#2309
- PCA, switch FeatureList between original and pre-processed data ChemClipse#2308
- PCA, fix and minor improvement for Feature List ChemClipse#2307
- PCA, clarify pre-process method descriptions, fix range scaling ChemClipse#2306
- PCA, variance plot y-axis fixed range 0 -> 1 ChemClipse#2304
- Harmonize methods to shift/scale series SWTChart#478
- Demo Bar Chart with negative and positive x values SWTChart#477
- Added an icon to the installer UI search field. OpenChrom#667
- Added a switch for peak type in Template Review UI. OpenChrom#665
- Added an option to append identification results of an optimized scan to be added to a selected peak. ChemClipse#2296
- Fixed graphical glitches in installer UI. OpenChrom#666 OpenChrom#669 OpenChrom#664
- Fixed performance problems in the installer UI. OpenChrom#668 OpenChrom#663
- Fixed a typo in German localization. SWTChart#476
- Fixed
.ocb
scan interval calculation. ChemClipse#2288 ChemClipse#2289 ChemClipse#2291 - Fixed scan density filter interpolating incorrectly. ChemClipse#2290
- Fixed a crash when exporting into Excel sheets. ChemClipse#2302
- Removed support for embedding LibreOffice/OpenOffice. ChemClipse#2286
- Fixed startup performance problems. ChemClipse#2280, ChemClipse#2284
- Fixed baseline not disappearing after releasing CTRL too early in Peak Detector UI. OpenChrom#653
- Added support for left-to-right baseline detection in Peak Detector UI. OpenChrom#654
- Added a new online molecular formula display option based on CACTUS. ChemClipse#2279
- Added an option to delete targets by level as in best hit, second-best hit etc. ChemClipse#2275
- Added more decimal places for high-resolution tandem MS in Scan Table. ChemClipse#2273
- PCA, add cross validation in UI ChemClipse#2271
- Fixed a crash in PCA evaluation. ChemClipse#2270
- Fixed TIC using the same color when displayed in conjunction with other overlays. ChemClipse#2238
- Fixed selection filter in PCA feature list. ChemClipse#2266
- Fixed a crash when the targets tab is not initialized. ChemClipse#2240
- Fixed startup performance problems. ChemClipse#2268, ChemClipse#2262, ChemClipse#2264
- Added PCA cross-validation option. ChemClipse#2269
- Added a button to filter selected features in PCA perspective. ChemClipse#2248
- Added various small performance improvements. ChemClipse#2244
- Fixed Peak Review behavior with split peaks sharing the same CAS registry number. OpenChrom#648
- Fixed TIC color in conjunction with other chromatogram overlays. ChemClipse#2238
- Fixed editing for long sample name in PCA perspective. ChemClipse#2235
- Easier plug-in installation OpenChrom#645
- Update NetCDF to version 5.8 OpenChrom#635
- Rich Text Editor - handle SWTException ChemClipse#2233
- PCA, cross-validation by default off ChemClipse#2232
- PCA, separate cross-validation from processor ChemClipse#2231
- Fix chromatogram not being marked as dirty* when a reference chromatogram is added ChemClipse#2230
- pca, include cv into results ChemClipse#2229
- PCA, opls cross validation calc, all components ChemClipse#2225
- Add Icons - intensity range / optimize pattern ChemClipse#2224
- Migrate to Java 21 SWTChart#464
- Added PCA filter distribution. ChemClipse#2216, ChemClipse#2220, ChemClipse#2222
- Fixed signal-to-noise (s/n) not be automatically calculated for chromatograms. ChemClipse#2208
- Fixed PCA quick start tiles imbalance. ChemClipse#2219
- Fixed 📷 screenshot staying all white on Linux with KDE on Wayland. ChemClipse#1994
- Fixed settings inside dropdown boxes not getting properly reset. ChemClipse#2213
- Added experimental support for the RDX3
.RData
format. OpenChrom#633 - Added updated labels to differentiate OPLS from PCA variants ChemClipse#2203
- Added a message when the sample exists in database file. ChemClipse#2202
- Added a right-click function to PCA apply selection to classification column. ChemClipse#2201
- Added cross-validation to PCA data collection. ChemClipse#2193
- Fixed PCA score plot from un-zooming on sample highlight. ChemClipse#2200
- Fixed sorting in PCA sample table. ChemClipse#2199
- Fixed press, ss and q2 not being calculated for OPLS. ChemClipse#2198
- Fixed decimal places in Scan Chart for nominal masses. ChemClipse#2178
- Fixed switching columns not setting chromatogram as changed. ChemClipse#2179 ChemClipse#2182
- Fixed noise getting calculated too often, causing performance problems. ChemClipse#2177 ChemClipse#2189
- Fixed a crash when calculating S/N. ChemClipse#2176
- Updated to EPLv2. ChemClipse#2136, OpenChrom#628
- Fixed Peak/Scan list not clearing when deleting peaks. ChemClipse#2172
- Handle Rich Text Editor / Text uniquely ChemClipse#2170
- Fixed inconsistent duplicated target highlighter in Peak/Scan list. ChemClipse#2169
- Read the mzML spectrum ID. ChemClipse#2168
- Fixed HTML color rgba function. ChemClipse#2167
- Forward processing infos. ChemClipse#2166
- Added multi-core support to
.msl
/.msp
reader. ChemClipse#2165 - Added update site for Agilent OpenLab HPLC-DAD import converters. OpenChrom#592
- Added feedback messages from chromatogram classifiers. ChemClipse#2166
- Added MassBank release 2024.11 for use with the NIST DB connector. Marketplace
- Added a report settings to open template report after generation. OpenChrom#624
- Added a report setting to open calibration files after generation. ChemClipse#2159
- Added a scale in % for PDF/SVG/EPS chart exports. OpenChrom#621
- Fixed breakages with empty named traces. ChemClipse#2162
- Removed support for the internal MassBank text format. ChemClipse#2163
- Added InChI fields to the
.msp
import and display reference IDs from MassBank. ChemClipse#2160 - Added a right-click context menu on the Scan Chart copy to clipboard button. ChemClipse#2161
- Added a button to subtract library mass spectra selected peaks. ChemClipse#2157
- Added support for filtering long PCA formats by other longs formats. ChemClipse#2158
- Added support for m/z traces for time ranges. ChemClipse#2156
- Fixed already detected peaks not getting sorted by retention time using the retention index wizard. ChemClipse#2155
- Added a Scan Density Filter that allows modify chromatogram to a fixed scans per second. ChemClipse#2154
- Added a 🟥 duplicate targets highlighter to the Peak/Scan list. ChemClipse#2153
- Removed the Sample Quant report wizard. ChemClipse#2152
- Fixed settings with file dialog not being appliable via keyboard ⏎. ChemClipse#2150
- Fixed empty pages in RI calibration wizard. ChemClipse#2149
- Added custom layouts to chart PDF export. OpenChrom#620, SWTChart#451
- Fixed invisible pages in RI wizard. ChemClipse#2149
- Fixed missing circles in PDF export. SWTChart#449, SWTChart#450
- Added an identified scan whenever a peak transfer is not possible. OpenChrom#619
- Added an Isotope Distribution Calculator. OpenChrom#618
- Added support for samples with two different classifications for OPLS. ChemClipse#2148 ChemClipse#2147
- Fixed RI calculator embedded not focussing the table in a hotkey aware manner. ChemClipse#2143
- Fixed key ⌨️ bindings not persisting when closing chromatogram editors. ChemClipse#2142
- Added a read-only HPLC-FLD data model. ChemClipse#2139
- Added a Water Empower HPLC-FLD converter. OpenChrom#616
- Fixed umlaut problems in RTF parsing. ChemClipse#2140
- Fixed unsuitable MALDI-TOF MS filters appearing for profile/centroid spectra. ChemClipse#2125
- Fixed infinite peak transfer producing ghost peaks. OpenChrom#613
- Fixed peak detection selection line not vanishing. OpenChrom#142, ChemClipse#2132
- Added dynamic memory management. ChemClipse#2137
- Added a unified column selection combo box. ChemClipse#2134
- Added literature citations to chromatogram identifier. ChemClipse#2131, OpenChrom#611
- Fixed missing localization labels. ChemClipse#2123
- Added a settings dialog to MALDI identifiers. ChemClipse#2121
- Added an identification results view to the MALDI-TOF MS perspective. ChemClipse#2120
- Added support for overlaying the same MALDI-TOF MS spectra multiple times for comparison. ChemClipse#2119
- Added the process method toolbar to MALDI-TOF MS spectra. ChemClipse#2118
- Added literature references to MALDI-TOF MS spectra. ChemClipse#2116
see 1.5.0
see 1.4.0