Blog, Tutorials & Release Notes

Release Highlights
Upgrade Notes
Compatibility Considerations
Other Releases

• (Application Server) Support for password protected licenses
• "IHM calibration" renamed to "HM calibration" / "Hard Model Regression"
• Several errors regarding the display and modification of integration ranges
• Saving a model containing integration ranges with baseline type "straight line" issues a warning
• When closing a session, the "Apply data table changes"-dialog has no effect
• (Data Inspector) Profile Cursor doesn't get removed when switching reports

• [CRITICAL] Peak normalization is calculated incorrectly, see [2].
• Property tables not expandable with Viewer license (prevents access to collapsed properties)
• Cancelling the Component Fitting Analysis throws an error
• Hard Model plots not refreshed when changing Hard Model settings
• Calibrated models saved with v4.5 could not be loaded with v4.3 or below
• The "Share Desktop > Offline" function throws an error
• Data files can be added more than once if loaded from a table with different upper and lower case
• Missing log entry when license import fails
• Incorrect dialog "Autosave session" when it should be "Save Session"
• Profile Cursors not updated correctly when the figure's y-axis changes
• Saving and overwriting an existing Excel file inserts content into the file instead of replacing it

• New realization of application preferences, session preferences, and model settings. Application preferences apply for the whole application, e.g. display settings. Session preferences apply for the current working session. They are organized in "profiles", e.g. Raman profile. When starting a new session, you now pick a profile to work with. Model settings apply for each individual model. The Model Settings Window has been removed. Model settings are now directly accessible from the Model Properties Panel in the main window.
• New application preference "Timestamp first" for table reports
• Support for Magritek 1D-files
• Support for OMNIC SPG-files
• PEAXACT installer is now digitally signed
• (ProcessLink) Added support for OPC message signing & encryption
• (ProcessLink) Added support for custom file filters
• (ProcessLink) Added confirmation dialogs for stopping Links and closing the App
• (Application Server) Component Fitting Analysis now also returns component areas
• Faster loading of 3D data files
• SPC-filereader now is able to read Kaiser-specific timestamps
• License Activation Dialog now displays useful error messages
• (ProcessLink) OPC nodes moved from "Root" to "Objects" to comply with OPC specifications
• (ProcessLink) OPC subscriptions not working
• Bias CV has wrong sign
• Integration area not plotted correctly when some points within the range are excluded and all other points are baseline points
• Error during mouse modification of excluded ranges and baseline nodes when there are properties to reset (component fits, calibration, or signature)
• Error when changing user preferences from inside the calibration window and then canceling calibration
• (HMFA Result Window) Error when clicking the "Export Hard Model" button
• Loading a session file doesn't close windows related to the previous session

• (ProcessLink) Saving and loading of project files.
• (ProcessLink) Loading and starting a project from the command line, e.g. at Windows startup.
• After calibration, the user is not prompted anymore to save the model summary report. The report can be found under menu File > Export.
• Component fits are calculated incorrectly if the baseline intercept parameter is fixed. Old models with this parameter fixed perform differently now if the model also uses any of the following pretreatments: Area normalization, SNV normalization, Peak normalization, 1st/2nd order derivatives, No baseline subtraction, Straight line subtraction. If so, you should revalidate the model. Otherwise the model is not affected.
• Several minor bug fixes.

• PEAXACT ProcessLink - Interactive Windows App for real-time analysis and monitoring with integrated OPC UA server.
• ASCII reader now supports files with UTF8, UTF16, and UTF32 encoding.
• Re-calibration with less features than before may throw an error.
• Load/save error when the recent directory contains unicode characters.
• Unable to view Calibration Model with Viewer license.
• Saving models or sessions to a Dropbox folder may crash the application.
• Peak integration fails if rubberband baseline and excluded ranges with only a single data point co-occur.

• (Component Fitting) New graphical report "Component Area vs. ..."
• (Component Fitting) Table report now contains component areas
• File reader (txt, csv, dpt) now accepts files with text footer.
• Debug log file now contains detailed version and memory information.
• Saving results to Excel and ASCII files now keeps full numeric precision.
• License Server now works across different domains.
• Running predictions from the command line may cause an out-of-memory error.
• Axis/Colorbar exponent label invisible when switching between 2D/3D plots.
• Opening the Preferences Editor may throw an error in rare cases.
• Incorrect import of multi-line feature names from Excel files.

• New version numbering scheme with only 2 relevant numbers (major.minor). The major number represents the main version, the minor number indicates maintenance updates with full backward compatibility.
• User option to toggle the display of component areas (in addition to component weights)
• For the NIR profile, the default peak HWHM is now 200cm-1
• The Hard Model XY-Data report now also contains baseline and peak curve values
• When creating a mean sample, constant features are copied to the new data set
• Creating mean sample with grouping fails if grouping variable contains invalid filename characters
• Drag & drop of folders into the Model Tree Panel doesn't load model files
• Prediction from the command line ignores user preferences when saving the report
• Broken link to the What's New page

• Generation of PDF reports is faster and uses less memory
• (HMFA Report Window) New button "Create Hard Model" replaces OK button
• (Data Inspector) Surface plot not lit correctly when x-axis is reversed
• (Data Inspector) Error in 3D Plot and PCA Plot when x-values are empty
• PLS Calibration Model gets removed when changing Hard Model settings
• Update-check is broken (always reports "version is up-to-date")
• Model not marked unsaved after changing its description
• Incorrect auto-zoom on integration areas
• Several minor issues

• Faster loading in case of many data files
• Repeated execution of analyses is faster
• (Data Inspector) Less memory consumption
• (Data Inspector) Column filters are kept when the table structure changes
• Properties Panel shows weighted area (instead of unweighted) of Hard Model peaks
• The tolerance for regarding two x-axes as being identical now depends on the resolution. Before, the tolerance was simply 1, which e.g. wasn't appropriate for NMR spectra.
• (Data Inspector) Failure to display spectra with very high resolution
• (Data Inspector) Contour Plot shows incorrect correlation when X2-axis is not "Sample Index"
• (Data Inspector) Row filter for pathnames doesn't accept backslashes
• Integration areas are not painted correctly if intersecting with excluded ranges
• Integration areas are not painted correctly if option "Show hard model baseline as separate plot" is disabled

• Removed some unnecessary dialogs
• (Data Inspector) GUI may become unresponsive when using the Profile Cursor Tool
• (Desktop) CTRL-click does not add/remove peaks from a selection
• (Desktop) Fixing parameters of multiple selected peaks sometimes does not work
• (Data Inspector) Removing a column with an active filter may throw an error
• (Calibration Report) Title of PLS Loadings plot shows an incorrect rank
• Some GUI components are displayed too small on high-DPI screens
• (Data Inspector) Entering invalid pretreatments resets all table filteres
• (Desktop) Loading a Data Table file to update existing data sets may cause an error
• (Data Inspector) Sorting by filename is different than in the main window
• (Desktop) Wrong fitting of Hard Models having peaks outside the global range
• (Data Inspector) Improvements and bug fixes when working with many samples
• (Desktop) Error when activating a data set which contains no xy-values
• (Desktop) Error when loading a data table which contains only a single filename

• PEAXACT 4 is backward compatible. You can load model and session files saved with earlier versions. Model and session files saved with PEAXACT 4 cannot be loaded by earlier versions though.
• You may notice minor numerical differences when comparing model results of version 3 and 4 due to the new version of the MATLAB Runtime.
• [1] Results of Peak Integration are different than in version 3.7.x for Integration Ranges with baseline type "Linear Fit" due to a calculation error in 3.7.x. If you created a model with version 3.7.x, and your model has Integration Ranges, and any of the Integration Ranges uses a baseline of type "Linear Fit", then you need to re-validate the model in PEAXACT 4.
• [2] The behavior of Peak normalization changed due to a calculation error in versions 4.5 or below which occurs under very specific conditions. If you created a model with version 4.5 or below, and your model uses Standardization of type "Peak normalization" in combination with a Baseline Correction of type "Rubber band subtraction", and also the Reference Peak Range overlaps with an Exceluded Range, then you need to re-validate the model in PEAXACT 4.6.