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Интеллектуальная Система Тематического Исследования НАукометрических данных |
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Raman spectra are a large amount of data, which includes information about the composition of the substance, as well as various noises. To assess the contribution of each peak in the spectrum and make quantitative measurements of the spectrum is a very difficult task due to the sheer amount of information obtained from the spectra. For statistically significant allocation of contributions and for accurate quantitative analysis multiparametric statistical methods were used. The principal component analysis (PCA) method was used for the spectra separation of substrate and product of the enzymatic reaction. Also the method of PLS was used to construct a calibration curve and further define the unknown samples. Ellman’s assay was used as reference method to validate enzymatic activity values, measured by Raman spectroscopy.