SEPARATION OF DIFFRACTION SPECTRA BY PRINCIPAL COMPONENT METHOD BY THE EXAMPLE OF ARIFON DRUG
The article deals with the results of experimental studies on statistical processing of diffraction spectra of solid drugs for the purpose of their separation and identification. Diffractograms of the original and falsified drugs Arifon were used for the study. They were obtained on a desktop diffractometer Difray 401 produced by Scientific Instruments Inc. (Saint Petersburg, Russia). The research was conducted in the Scilab environment distributed under a free license. The captured diffraction spectra were processed using a smoothing procedure that eliminated the influence of a random component in the original data. Analysis of the results of smoothing by the moving average method showed that the smoothing algorithm with the window 41 point is most preferable. The results of statistical processing of diffractograms of the drugs investigated by the principal component analysis (PCA) in graphical and numerical form, which showed good convergence and efficiency of this method in the separation of diffraction spectra, are presented. The conducted studies make it possible to create a technique that allows identifying solid drugs by X-ray diffraction.