PEAXACT 3.5 - Release Highlights

This article shows highlights of release version 3.5 of PEAXACT software for quantitative spectroscopy from S-PACT. It is intended for users of PEAXACT. If you don't have PEAXACT yet, get a free trial now.

What’s New in Release 3.5?

  • Newly designed Validation Report Generator
  • MCR and HMFA analyses added to the Application Server (Analyzer DLL)
  • Default preferences profiles for Chromatography, NIR, and UV-Vis
  • Several bug fixes and speed improvements.

New Validation Report Generator

Testing the predictive capability of calibration models from time to time - and especially when changing the operating conditions of your measurement process - is essential to be sure that the calibration is still valid. The newly designed Validation Report makes model validation much easier. You can validate qualitatively or quantitatively depending on whether you provide test samples with reference values

The Report Generator now displays reference values of your test samples (blue) along with reference values of calibration (green) for a better visual evaluation. The evaluation can be done individually for each predictive feature and for each location (in case of location-dependent calibration). Quantitative measures like the prediction error RMSEP and prediction bias are shown.

The plot of predicted values (black) now also displays actual reference values (blue stars) to see differences at a glance. It is not required anymore to provide references for all predictive features or for all samples; any data you provide will be utilized.

Online-MCR and Online-HMFA

The PEAXACT Application Server now provides two calibration-free analyses: Multivariate Curve Resolution (MCR) and Hard Modeling Factor Analysis (HMFA). If you use PEAXACT as back-end analyzer within your own application, you will be able to use both methods for either offline or online analysis of measurements.

New Default Profiles

PEAXACT manages user preferences in profiles. During startup, you can choose a profile to work with.

Each profile specifies individual settings from visualization options to report appearance. Three new default profiles have been added with settings adapted for Chromatography, NIR, and UV-Vis. Of course, you can always use these defaults as starting values and make individual modifications.

Bug Fixes and Speed Improvements

PEAXACT 3.5 fixes and improves more than 20 problems and issues regarding installation, licensing, modeling, and analysis. This version is completely compatible with previous releases. See the release notes for a full list of changes.



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