Abstract To improve the quality of quantitative analysis of near infrared spectroscopy by chemometrics, the application of related algorithms and software tools were comprehensively studied. According to the general process of quantitative analysis of near infrared spectrum, the common algorithms of spectral data preprocessing, abnormal sample detection, sample set division, wavelength selection, model establishment and parameter optimization were discussed in turn, and the basic steps of various mainstream algorithms were given. Then the functions, features and main applications of OMNIC、OPUS、Origin、The Unscrambler X and MATLAB software tools were introduced to provide reference for related technology research and analysis detection work.
CHEN Su-Bin, HU Zhen, ZHANG Xiao-Qi, REN Wei. Application of Software Technology in Quantitative Analysis of Near Infrared Spectroscopy[J]. Chinese Journal of Chemical Education, 2018, 39(16): 62-67.
