The software now includes blob detection algorithms suited for detection on variable modulation and heart-cut data. These algorithms will perform smoothing and detect wrap-around blobs correctly at the modulation region bounds. These algorithms can be enabled with the Use the Variable Modulation-Aware Detection Algorithm option.
Additionally, if modulation regions should be considered independently, the new Limit Integration within Individual Modulation Regions option can be enabled to prevent blob detections and smoothing across multiple modulation regions.
The software now has a new 1D blob detection algorithm. The new algorithm performs 1D detection with options for shoulder detection.
A new Peak Filter option is available for the merging 1D peaks step of the Hybrid detection algorithm type. This option allows users to filter out noisy 1D peaks based on the minimum peak width, SNR, and peak height constraints.
Blob detection can now detect blobs in the first and last columns of the chromatogram. This new behavior is enabled with the Use the Variable Modulation-Aware Detection Algorithm option.
Processing > Extract Ion Peaks as Areas now supports detecting ion peaks on variable modulation data.
The software now has better supports for JEOL JMS-T2000GC AccuTOF GC-Alpha Mass Spectrometer data with the new msAxelDataReader v1.3 library.
When importing Thermo raw data files, the importer is now more tolerant of data corruption and will import partially corrupted files.
The Select a Data Channel dialog that appears when importing a file with multiple data channels now includes a Description field for each channel. For Agilent 2D-LC OpenLab ChemStation (.dx) files containing the required metadata, the dimensionality of the channel will be included in the Description field.
Import > Automated Actions > Use Method now uses the Method Manager instead of a file browser, allowing for new methods to be created and existing methods to be edited in addition to the existing browse functionality. Additionally, method selection now has improved validation behavior.
File > Export Image > Export Image as CSV now supports exporting variable modulation data with better handling of the empty regions of a 2D chromatogram. This improvement is also applied to the save button on View > Text View and the Export Image as CSV method command.
A new view option, Show Blobs, has been added to the 1D View. When enabled, profiles of detected blobs will be drawn onto the 1D view graph.
The 1D View graph is now easier to read due to the following improvements:
Images of a project can now be re-processed in batches using the new Run > Reprocess Images operation.
Project files can now be easily accessed from File Explorer using the new File > View in File Explorer menu item.
Within Investigator, File > Reload All now initially checks the source files and notifies the user once if any are missing instead of displaying a new error dialog for every missing file.
Within Investigator, File > Load Images now checks the file extension of the selected files and displays an error if any files are unsupported instead of displaying a new error dialog for every unsupported file.
The FlatLaf look and feel option has been added to Configure > Settings > System.
New settings are properly validated for errors before they are applied or exported from Configure > Settings.
In some cases after performing an import using File > Import Agilent 2D-LC, the Column I times reported in the Text View did not match the expected times from the Agilent 2D-LC cut table.
When importing a file using interpolation and the auto resampling option, the resampling rate was incorrectly computed before all the timing information from the file was considered (e.g., such as that from MS/MS files).
Compatibility: This fix will change the results of importing with Auto Resampling. To revert to the old behavior, go to Configure > Settings > System and set the Import Auto Resampling Rate Compatibility compliance setting.
When importing some data files using pixel parameters and a Column II size of 1 (to import the data as 1D) an error would unexpectedly occur.
When opening a chromatogram with phase shift applied and a blob in the first or last column, an exception was thrown.
When right-clicking on an empty blob (possibly resulting from a blob split operation) to view the Blob Properties dialog, an exception was thrown.
The projection lines of the Edit > Edit Blobs dialog would not be drawn if the plotted values extended beyond the modulation region bounds in a variable modulation image.
View > BPC did not add a BPC projection to a 1D View that was already open.
Workaround: Opening 1D View after the BPC will add a BPC projection to the 1D View.
Blobs drawn as outlines (Configure > Settings > Blob Display > ThinOutline) would sometimes not be drawn if the blob had only a small portion within the view bounds.
In 1D View > Static view, the mouse-over displayed the X axis value incorrectly with no decimals.
In 1D View, the X axis tick locations were placed incorrectly and the labels rounded causing the axis location to appear different from the correct location reported in the mouse-over.
Configure > Settings > Blob Stats > Bounding Box w% allowed negative values to be set, which should have been considered invalid.
The Draw Blob cursor mode would incorrectly start drawing a blob when the user right-clicked to zoom.
Some Column I attributes of a blob were incorrectly computed for variable modulation data, affecting the values reported in the Blob Table and Blob Set Table. The affected attributes were:
The values of the above attributes are still not correct in all cases for non-comprehensive data files (e.g. heart cut data).
In Investigator, the Filter on the Summary perspective would filter rows that did not meet the specified criteria for the specified column but would leave any rows that had a missing value for the specified column.
Project > select a vial > Import Composition would incorrectly import compound names containing Greek characters.
The Cannot Find NIST Library Search Software warning dialog no longer appears when running Project, Investigator, or via the Command Line Interface.
A warning message is now displayed when attempting to detect blobs on a variable modulation chromatogram without the new Use the Variable Modulation-Aware Detection Algorithm setting enabled.
A warning message is now displayed when attempting to apply a phase shift after blobs have been detected on a variable modulation chromatogram, as it is currently not supported and may yield unexpected results.
Blobs that are shifted out of the modulation region bounds are now hidden from the display. This can occur when applying phase shift after blob detection on a variable modulation chromatogram, which is currently not supported.