The data import interface now includes an Import button for building a variable modulation table from a CSV or Excel file. The table is created from the file's Start Time and Modulation Period columns, with support for duration-style columns and automatic time-unit conversion, so variable modulation periods exported from other software can be imported into the software.
The Multi-Projections view is now a non-blocking view, similar to the 1D view, so you can continue interacting with the Image View while it is open. The Multi-Projections view now follows the active image and refreshes automatically as you zoom and navigate or when the image data changes. A new Refresh button updates the view to the current viewport and resets the projections and baseline.
The Multi-Projections view interface has been redesigned:
When saving an X or Y projection from the Multi-Projections view, the saved data now covers the current viewport region by default and can optionally include the axis values. To save the projection over the full image range, enable the Save Full Range option.
A new Processing > Shift Phase to Reference action uses computer vision to determine the phase shift needed to align the current image to a selected reference image, and then applies the Shift Phase operation. You can match against the full reference image or a list of specified regions defined by retention-time ranges or named graphical regions. If a reliable shift cannot be determined, the software offers to open a comparison of the reference against the current image.
A new Match Using Reference action uses computer vision to match template peaks to the current image based on the corresponding peak patterns in a selected reference image. In the Interactive Match interface, the Match Using Reference button prompts for a reference image and then determines the initial template-peak matches automatically.
The software now supports NIST26 mass spectral libraries, including the NIST26 demo library, for library search.
When retrieving the spectrum for an identified NIST compound from the main (mainlib) or replicate (replib) library, the software now also checks the other of these two libraries instead of only the compound's original library. This means the spectrum can still be retrieved when a compound has moved between the main and replicate libraries between NIST versions, avoiding a "spectrum could not be found" error.
When setting up quantification, the software now checks internal-standard (ISTD) quantifier names and warns you if a name is empty or is the same as its compound name, which would otherwise lead to incorrect calibration results. This makes it easier to catch naming problems before building a calibration table.
The Method Editor tool bar now includes an Import button for importing operation steps from an existing method. You can choose a method file and then import all of its steps or only the steps you select. This makes it easier to build and maintain complex methods by reusing steps, such as step-specific configurations, custom instructions, and plugin custom operations, across methods.
A new Apply Template As-Is method command applies the image's existing blob template as it is, without re-matching.
The Match Using Reference operation is also available as a Match Template Using Reference method command, so it can be incorporated into automated methods. The command includes a Perform Match Remaining option that, after matching to the reference, matches any peaks left unmatched to the remaining blobs.
The Shift Phase to Reference operation is also available as a method command, so it can be incorporated into automated methods and run during import.
The Run Custom Operation editor now gives the Value column more horizontal space and resizes it first as the window is resized, making parameter values easier to read and edit.
The software now includes Solarized light and dark themes. The theme can be selected from Configure > Settings.
Compatibility: The outdated Nimbus theme has been removed.
Many controls across the software were updated so that they display correctly with the new themes, including the color-selection buttons in Configure > Settings and the various property dialogs, as well as the image axes, tables, and color legends. In particular, the Blob Table and Text View now choose foreground text colors that remain easy to read against the cell or background color in any theme.
The bug-report workflow has been redesigned. The new interface lets you select from any available log file to include, and bug reports are submitted through a bug-report submission webpage that the software opens for you. Software logs are now stored in a logs subfolder.
In rare cases, importing Agilent 2D LC data could fail because the cuts from the Agilent cut table were sorted incorrectly.
The data sampled for the X and Y projection plots in the Multi-Projections view could be inconsistent with the cursor location shown on the image and with the position and value reported in the status bar, so the projections would sometimes not correspond to the point under the cursor. The cursor location, the reported position and value, and the plotted projections are now computed consistently.
At certain window sizes and zoom levels, the blob outlines, the X and Y projection plots, and the chromatogram image in the Multi-Projections view could be drawn shifted out of alignment with one another.
When a projection or selection reached the edge of the image, or extended beyond it, the Multi-Projections plots could show spurious values (such as dropping to zero) or draw incorrectly while the region was dragged outside the image. Areas with no data are now left out of the plots instead of being drawn as zero.
In Multi mode, saving the horizontal (X) projection of a selected interval range to a CSV file produced data that, when plotted, differed from the X projection shown in the Multi-Projections view. The saved data now matches the displayed projection plot.
In Multi mode the baseline is not drawn, but the Show Baseline checkbox remained enabled rather than being disabled as in modes where it does not apply. The Show Baseline checkbox is now disabled in Multi mode and enabled in Integrated and Shape modes, which do draw the baseline.
After setting a zero-width, zero-height range in Multi mode, then switching to Integrated mode and dragging a non-zero range, returning to Multi mode left the X and Y line sliders unadjustable even though a non-zero range was selected. The sliders now update whenever the X or Y projection range changes.
When the Multi-Projections viewport extended entirely outside the bounds of the image (for example, while navigating or zooming near the edge of the image), a warning dialog would appear repeatedly, immediately reappearing each time it was closed, which blocked all further interaction with the Multi-Projections view. Out-of-bounds viewports are now handled gracefully.
During Interactive Match and Transform, the Match Remaining action used a separate matching algorithm that did not apply the template's Spectral Constraints. Match Remaining now enforces these constraints, consistent with standard template matching.
During Interactive Match and Transform, the Match Remaining action could match template entries to blobs that had been excluded. Match Remaining now considers only non-excluded blobs.
In some rare cases, using NIST with Interactive mode library search caused an error when the NIST MS Search program could not be correctly restarted.
When creating a New Calibration Table, if a blob and one of its quantifiers were given the same name, that compound's response was added twice, producing a doubled response value in the calibration table.
Workaround: Give the quantifier a name that differs from the blob name.
Choosing an interactive method that could not be run (for example, as an automated action while importing an image, or during Project auto-processing) imported the image and then failed with an error. The problem with the method is now reported up front, before the image is processed.
After editing a method and saving it over an existing method, your changes were not always kept. Re-running the method could still use the previous version (for example, the old calibration table instead of the updated one).
When the software was run from the command line on a system without an existing configuration, the graphical first-run migration wizard could be displayed, which is inappropriate for command-line and automated use. The migration wizard is now skipped when running in command-line mode.
The default Column I distance threshold for the Match Remaining operation has been changed from 8.0 to 3.0. You can still set a different threshold in the Match Remaining options.
When building a calibration table, a quantifier is now calibrated as its own separate compound only when it is marked as an internal standard (ISTD). Other quantifiers contribute to their parent compound rather than appearing as separate entries. An internal-standard quantifier must be given a name that is non-empty and different from the name of its parent compound.
The Apply Template method command, which matches the template before applying it, has been renamed to Match and Apply Template to distinguish it from the new Apply Template As-Is command, which applies the existing template without matching.
The internal login and user-management module has been removed; the software now always uses the system login. The Login Settings pane has been removed from Configure > Settings > System.
Compatibility: The -sysu, -u, -p, and -ep command-line arguments are still parsed but are now ignored.
The WibuKey Runtime, required for USB Key licenses, is no longer bundled with the installer. When you select a USB Key license, the installer offers to download and install it, following our online guide or downloading directly from the Wibu-Systems website.
The NIST Demo library is no longer bundled with the installer. On the last page of the installation wizard, if you do not already have a NIST MS Search program installed, you can choose to download and install the NIST Demo Version.