Quantification of components or sample properties is very likely the most common application in NIR spectroscopy. The QUANT2 package provides a compre-hensive framework to setup, calibrate and validate PLS (Partial Least Squares) based quantification models.
Multivariate calibration algorithms like PLS correlate spectral intensity (e.g. absorbance values) in specified wavelength regions with concentration values of constituents obtained via appropriate reference methods. The calibration work requires the usage of certain tools, plots and statistics to obtain reliable and robust calibration models.
In the multi evaluation framework two step evaluations offer an additional dimension: nested quantification models allow to further optimize accuracy of methods within defined concentration ranges for each component.
QUANT2 Key Features:
QUANT2 example calibration, prediction vs. true plot.
Principal component analysis (PCA) score plot.
QUANT2: interactive selection of multiple spectral ranges for calibration.