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NIRCal

The powerful NIR method development tool

NIRCal Screen One

NIRCal is a powerful chemometric software package to develop robust NIR methods which lead to fast and reliable NIR prediction results.

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Overview
Benefits

Tailored to your need

  • Achieve the most appropriate calibration from a broad range of chemometric methods (PLS, PCR, MLR, SIMCA and cluster analysis)
  • Flexible pretreatment of spectral information leads to better prediction models
  • Allows the integration of existing NIR data from any vendor

Easy and powerful

  • Shorter method development time due to patented automation “Calibration Wizard”
  • Time savings through rapid calculation of large data sets
  • Shared database allows decentralized application of calibrations

Reliable results

  • Better understanding due to interactive graphical visualization of data
  • Reliable prediction results thanks to multiple criteria for outlier detection
  • Ingenious validation tools and detailed calibration protocols
Features
NIRCal Software Wizard Module

NIRCal Calibration wizard

Patented Calibration Wizard for automated knowledge-based calibration building. It allows fast and easy development and validation of calibrations without any chemometric knowledge. The Calibration Wizard automatically finds the optimal parameters for your calibration from a large number of possibilities. The quality of the individual Wizard calibrations is determined via the NIRCal Q-Value (Calibration Quality Value).

NIRCal Quantiative Calibration

NIRCal Quantitative Calibration Methods

Multivariate quantitative calibration methods Partial Least Square (PLS), Principal component Regression (PCR) , and Multi-Linear Regression (MLR).
NIRCal chemometric Software Overview

NIRCal Model Validation

For validation of the model, you can define a separate validation set. In addition, you also have the option of Cross Validation. Various statistical parameters (SEC, SEP, BIAS, PRESS, r2, … ) assist you in validating calibrations. Statistical tests such as Durbin-Watson or t-Test help you interpret data with a higher degree of reliability. The Durbin- Watson Test checks quantitative methods for linearity. The t-Test checks the equivalence of the validation sample results versus the reference values.
NIRCal Identification Cluster Plot

NIRCal Qualitative Calibration Methods

Multivariate qualitative (classification, identification) calibration methods like CLUSTER and SIMCA. Multivariate data analysis with PCA.
NIRCal 3D Spectra Graphics

NIRCal Interactive graphics

In NIRCal highly interactive graphical visualization of spectral data and all type of chemometric parameters and results can be combined in different plot types: line plot, parallel coordinates plot, scatter plot in 1D, 2D and 3D, surface plot in 2D and 3D.
NIRCal Pretreated Spectra 3D Plot

NIRCal Data Pretreatment

Large selection of 45 data pre-processing algorithms (pretreatments) that can be used in any sequence, e.g. normalization, SNV, derivatives (1st, 2nd, 3rd), smoothing, transformations, offset correction, MSC, custom linear filtering.