NIRCal

Description

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

Benefits :-
Easy and Powerful
•  Shared database allows decentralized application of calibrations
•  Shorter method development time due to patented automation “Calibration Wizard”
•  Time savings through rapid calculation of large data sets
Reliable Results
•  Better understanding due to interactive graphical visualization of data
•  Ingenious validation tools and detailed calibration protocols
•  Reliable prediction results thanks to multiple criteria for outlier detection
Tailored to Your Need
•  Achieve the most appropriate calibration from a broad range of chemometric methods (PLS, PCR, MLR, SIMCA and cluster analysis)
•  Allows the integration of existing NIR data from any vendor
•  Flexible pretreatment of spectral information leads to better prediction models
Features :-
•  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 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 Quantitative Calibration Methods
–  Multivariate quantitative calibration methods Partial Least Square (PLS), Principal component Regression (PCR) , and Multi-Linear Regression (MLR).
•  NIRCal Qualitative Calibration Methods
–  Multivariate qualitative (classification, identification) calibration methods like CLUSTER and SIMCA. Multivariate data analysis with PCA.
•  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 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.