PEAXACT 5 - Release Highlights

This article shows highlights of release version 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 5?

  • Categorical Features
  • Cluster Analysis, Classification, and Identification
  • NMR-specific Pretreatments
  • Custom Model for User-definable Results
  • Improved Integration Model
  • Improved Hard Model
  • Improved Calibration Model
  • Interactive Plot Selection
  • Simplified License Management
  • Based on MATLAB 2019

Categorical Features

PEAXACT 5 now supports categorical features (text features), e.g. to represent sample groups, batch names, material IDs, a.s.o. Categorical features can be used side-by-side with and as easy as numerical features.

Cluster Analysis, Classification, and Identification

Categorical features can be used for a Cluster Analysis or to train a Classification Model which then allows for the identification of unknown sample classes.

NMR-specific Pretreatments

PEAXACT 5 introduces an improved Pretreatment Model with new options for the pre-processing of primary NMR data, e.g. FID to spectrum transformation, apodization, zero-filling, phase correction and alignment.

Custom Model for User-definable Results

PEAXACT 5 enables you to extend results of built-in analyses by defining your own custom results. An editor lets you write complex expressions, including operators and functions (e.g. IF...THEN).

Improved Integration Model

The Integration Model now allows components to have more than one peak, and new baseline types have been added with baseline regions separated from integration limits.

Improved Hard Model

A new Hard Model fitting algorithm has been implemented which is more thorough than the previous one.

Improved Calibration Model

The Calibration Model now accepts missing values in the calibration matrix. For PLS regression you can now assign Data Filters in order to calibrate separate features with separate spectral regions. During calibration, you can now modify calibration-critical properties and compare alternatives directly within in the Calibration Report Window.

Models calibrated with PEAXACT 5 now provide prediction uncertainties for a 95% level of confidence.

Interactive Plot Selection

A Selection Tool has been added to interact with graphical reports. Sample-specific lines and points can be highlighted and modified via context menu. Selections are maintained between reports, allowing you to track individual samples across reports.

Simplified License Management

PEAXACT users can now manage their licenses with a single access code that can be used to activate, download, transfer, or renew licenses automatically. Licenses are available via web portal at www.s-pact.com/peaxact/activate.

Based on MATLAB 2019

PEAXACT 5 is based on the new MATLAB Runtime 2019. See the release notes for a full list of changes.
 

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