Application Note

A Comparison of Two FT-NIR Sampling Techniques for SIMCA Classification of Spectroscopically Similar Pharmaceutical Raw Materials


NIR Spectroscopy is a useful technique for raw materials identification and verification, but the sophistication of the technique might differ based on the sample. If the materials to be identified are spectroscopically dissimilar, it is often only necessary to use a simple distance measure such as a spectral difference for identification. If the spectra are similar, on the other hand, it may be necessary to use more sophisticated techniques which take into consideration both the intra- and inter-material spectral variation for identification and classification. The SIMCA (Soft Independent Modelling of Class Analogy) algorithm, a Principal Component Analysis (PCA) method, provides such an example.