1D View now includes a Groups table in addition to the existing Series table. The Groups table gives a list of all open graph groups, allowing you to select rows to highlight and scroll the corresponding graph into view.
1D View now uses a scroll bar for scrolling through the open graphs instead of the previous and next page buttons.
1D View now includes the unit in the location-based series and group names as well as the graph's x-axis label
1D View graphs now use a minimum graph height to ensure visibility while expanding as needed to fit the specified View count.
Blobs are areas drawn on the 1D View graphs are now selectable via left-click. Blob and area drawing is enabled with the Show Blobs/Show Areas checkboxes (Areas are only available in Review Mode).
The Series list in 1D View now uses an improved ordering:
Selection of items in the Series list in 1D View will highlight the selected series as bold in the graphs.
The graph tooltips in 1D View will now display the drawn blobs and areas when hovering between data points and not just when exactly on the data point.
The graph tooltips in 1D View will now display the drawn blobs of only the graph at the cursor location and not all other open graphs (e.g., blobs under other projection lines).
In 1D View, while hovering over a blob drawn in the graph, the blob is now highlighted with a darker shade, indicating which blob would be selected with a left-click.
The Auto Generate a Feature Template option available in Investigator > Load Images has a new setting for specifying a custom peak template to allow direct control on what chromatogram peaks are used for the alignment process.
The performance of spectrum parsing and spectral matching score computation has been improved significantly. This results in faster template matching, feature template, and Compound Finder actions in the Investigator app as well as other apps.
The MS Range Editor and MS Range import and export (e.g., View > Multiple SIC Views) now support inputting a peptide sequence for specifying an MS range. The peptide sequence can be represented by the amino acid one-letter symbols. A delta mass field is available for specifying the mass change from peptide modifications.
The MS Range tables in both MS Cube and Multiple SIC Views now include columns for the Expression and Tolerance for each MS range.
Compatibility: The CSV export/import format has been changed. Importing CSV MS Range tables from an old version into the current version (and vice-versa) is supported, but will require different column mappings on import:
Ion Peaks detected through Processing > Extract Ion Peaks as Areas now include the following additional width metadata: Peak Front-Half Width, Peak Back-Half Width, Peak FWHM (pixel), Peak FWHM (s).
While in Review Mode, the 1D View has a new value mapping option: Apex Normalization. This will normalize all plots to a single apex location, allowing easier comparison of individual ions apexing together. The apex location is determined by the current blob or ion peak selection.
The Review Mode configuration for Spectral Sources has new options for plotting Qualifier and Quantifier ions of the selected blob/area. The number of plotted ions is configurable for each. If the selected number is less than the total number of Qualifiers/Quantifiers, the most intense, as determined from the apex intensity, will be used.
While in Review Mode, the 1D View has a Show Areas checkbox to enable drawing areas on the 1D plots. Regular areas are drawn as a rectangle overlaid on the covered data range. Ion peak areas created at the ion apex location will also draw bars to the left and right indicating the ion peak width. Additionally, ion peak areas will only be drawn on series whose MS range intersects the qualifier ions of the ion peak.
Windows > Tile Selected Windows has a new Freeform Tile Layout option. The Freeform option will fit windows to a custom grid based on their current locations.
Windows > Tile Selected Windows has a new Revert button. The Revert button will undo the most recent Apply action and revert the windows to their previous layout.
View > 1D View had poor performance when updating the plots due to changing projection line count, location, or orientation. It was particularly noticeable with a large number of series.
View > 1D View would freeze when attempting to view a spectrum via the right-click menu on a 1D view plot of length 1 (e.g., viewing a column II projection on 1D data).
Tools > Compare Images (Side-by-Side) would sometimes have slow drawing performance and UI stutter on the Overlay > Flicker view.
Tools > Compare Images (Side-by-Side) would not include Library Search Hit and Q ion properties in the Compare Images tables, even when they were configured to appear in the blob table.
There was a missing label for Configure > Settings > 3D View > Z Axis Label.
The computed m/z value for formulas with more than charge, either positive or negative, did not correct for multiple electron masses, resulting in an incorrect m/z.
Workaround: Use the desired m/z value directly instead of the formula for formulas with abs(charges) > 1.
The IsotopeSimilarity CLIC function applied with either the MATCH or RMATCH similarity types did not convert to a nominal m/z spectrum before performing spectral matching. This resulted in unexpected match scores.
The spectral constraints applied during template matching (Configure > Settings > Template Matching > Spectral Constraints) did not convert to a nominal m/z spectrum before performing spectral matching. This resulted in unexpected match scores and differences in the template matching results.
Workaround: Enable the Configure > Settings > Template > Always round to integer masses setting both during template creation and template matching.
When computing the match score between spectra, if one or both spectra had m/z values greater than 1000, the score would sometimes have unexpected results.
View > MS Cube > select Col1xMS would result in a long delay in loading the Column I by MS view. The delay was more significant with smaller tolerances specified in the Configure > Settings > Multi-Channel > MS Data Binning settings.
MS View > Formula Calculator > Formula to Mass > enter a formula > Calculate > Add Isotopic Spectrum threw an exception.
MS View > Formula Calculator > Formula to Mass > enter a formula > set Abundance Threshold to 0 > Calculate would run for a very long time, or indefinitely, requiring the processes to be killed.
MS View > Formula Calculator > Formula to Mass > enter a formula > Calculate > Add Isotopic Spectrum was always disabled when no initial mass selection was specified.
Project > Run > Reprocess Images > Edit the selected method would not refresh the parameters displayed on the Reprocess Images dialog, nor would it use those updated parameters when performing reprocessing.
Workaround: Select a different method in the dropdown menu and then reselect the original method to force a reload of the updated method.
The Import Processed Images step of the New Project with Existing Processed Images wizard UI had some text cut off.
In Project, selecting an image in the project tree would throw uncaught exceptions for run names with certain combinations of characters.
In Project, the Image Details pane would show the wrong modulation or run time for certain images, such as old files, 1D chromatograms, or multiple heart-cut chromatograms.
File > Save Summary Report would throw an exception if including the Image Viewer with very large image dimensions.
Workaround: Reduce the image dimensions. Dimensions default to being expressed in inches. Consider using pixel dimensions and specifying both dimensions < 1000 if the exception persists.
Review > Start Review or Review Configurations..., with a configuration with an unrecognized view would throw an uncaught exception. This case may occur when importing a Review Configuration from a newer version of the software.
The Legend table title in 1D View was changed to Series.
The Interactive and Static tab titles in 1D View were changed to Current and Inspection, respectively.
Tools > Compare Images (Side-by-Side) now draws the blob selection boxes with transparency according to the slider for the Overlay > Transparent view.