The 64-bit Thermo Scientific MSFileReader (including the latest version 3.1SP4) is now supported. This support enables the importing of larger Thermo .raw data files and improves overall import reliability.
D
(Deuterium) and
T
(Tritium) symbols are now supported in chemical formulas for Formula Calculator, mass range and CLIC
calculations.
A new
ISNAN(arg1)
CLIC
function returns true if and only if the value is NaN or not a
number.
A new
STRCONCAT(string1, string2, ...)
CLIC
function returns the concatenation of the provided string
arguments.
The following CLIC functions can now utilize the configured MS Data Binning settings if a specific tolerance is not specified:
ISOTOPEMATCHESISOTOPESIMILARITYMATCHEDMASS
The performance of
ISOTOPEMATCHES
and
ISOTOPESIMILARITY
CLIC
functions has been significantly improved.
Editing a single blob's properties now only recomputes CLIC columns for that specific blob (unless referenced by CLICs of other blobs), improving efficiency.
The Blob Table now supports up to 20 CLIC columns, doubling the previous limit of 10.
Redundant Blob Table refreshes during undo operations have been significantly reduced.
Double refreshing of the Blob Table when starting review has been prevented.
The MS View now automatically displays the selected hit list spectra upon open.
The speed of the Rolling Ball baseline correction has been significantly improved, particularly when using small values for the ball radius.
A new Slice Report option, Show Distribution Plot on Chromatogram, has been added to display the distribution plot overlaid onto the report's chromatogram image.
A new Spectral Group Review mode provides tools for viewing the SICs of spectral ranges defined by a variety of input sources. This configuration supports operating on the full spectral range, common hydrocarbon groups (including the ASTM D2786 Mass Groupings), or user-specified spectral ranges imported from a CSV or XML file. The Review Spectral Ranges table supports interactive viewing of the SIC based on the spectral range selection and a variety of options.
A new Library Search Review mode provides tools for reviewing the library search hit list assignments for all blobs. This configuration includes predefined Blob Table columns to aid in the confirmation of compound identification, including checks for retention index, base peak, the MW ion, and isotopic similarity. The coloration of the Blob Table columns helps to visually highlight compounds with uncertain (yellow) or likely incorrect (red) identification. The interface provides a convenient way to view alternative hit list identifications and select the correct assignment.
When starting review without a pre-selected blob, the Review mode will now automatically select and initialize with the first blob in the Blob Table.
New settings, Always Show Blobs and Always Show Areas, have been added to review configurations to enable always showing blobs or areas on the 1D view.
The 1D View now provides a more descriptive title for SIC data series for improved clarity.
Duplicating a review configuration now generates a unique display name to avoid confusion.
The Features table within the Review Configuration dialog now dynamically adjusts to fill the available vertical space when the dialog is resized.
The Feature column in the Features table has been widened for better readability.
The new Features - Extraction Method setting for the Auto Feature workflow has an option, Enhanced with Library Search, which performs library search on the feature template areas as part of the Auto Feature workflow.
The Blob Set Table was not automatically refreshing after applying a template.
Workaround: Manually refresh the Blob Set Table.
Setting How to Display Spectral Images to Single Window on Configure > Settings > Multi-Channel resulted in a NullPointerException when changing the SIC.
Adding a data series in 1D View > Inspection failed with an uncaught exception on non-spectral images.
Affected Versions: This bug affects version v2024r1 or later.
Colorization was incorrectly applied to empty or NaN values in the blob table.
Editing an area's name directly in the blob table did not refresh the CLIC columns.
Workaround: Manually refresh the Blob Table.
The blob compound name dropdown did not apply edits when clicking an option or pressing Enter; they were only applied when clicking off of the dropdown.
Tools > Slice Report... failed with an uncaught exception if two graphics shared the same name.
Affected Versions: This bug affects version v2024r1 or later. The Project app exhibits the same exception but catches and displays an error message.
Workaround: Ensure all graphics have unique names.
An incorrect cursor mode was sometimes displayed after exiting Review mode.
The Review > Show View menu threw an exception if the current configuration had been deleted while the review was active.
The Plot Qualifier... and Plot Quantifier... settings for the 1D View were not saved with the review configuration.
Copying or exporting a review configuration while in review mode did not maintain the current window layout.
Workaround: Exit review mode before copying or exporting the review configuration.
The close button on the Review Configuration save confirmation dialog acted as "no" instead of "cancel", starting the review without saving the configuration.
Changing the blob table configuration via a method during Review mode caused the loss of review mode columns. Further, the changes did not persist when exiting review mode.
Workaround: Exit review mode before running the method.
Closing and reopening the Review MS View resulted in an empty MS View instead of populating with the current selection.
Workaround: Deselect and reselect the current selection.
The Value fields in Review > Configuration > Features > Colorize did not accept values less than 0.001.
Starting a review and modifying the review configuration without a selected blob caused exceptions with subsequent actions on the MS View dialog.
Workaround: Stop and restart the review.
When no selection was made, the Next button on the Blob Table incorrectly selected the second row instead of the first.
Creating a calibration table in the Image app (Quantification > New Calibration from Current Image) displays a warning if multiple response sources are detected. The Project app (Method > Build Calibration Table) did not display a similar warning.
The
ISOTOPESIMILARITY
CLIC function now returns 0 when there are no matches. Before, it
returned NaN (Not a Number).
When entering a new compound name directly in the Blob Table, the software no longer asks to add the compound name to the known compound list in the Compound Library.