Yu. S. Lomaev
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The article deals with the automated data processing algorithms of spectra and X-ray samples. There is a problem of approximation concerning the X-ray powder sample FeNi and the absorption spectrum of ferriferous magnetic insulator by Gaussian functions
superposition. In this case the problem is that the initial number of approximating functions is unknown, and the developed algorithms should automatically detect their number. Data filtering algorithms and optimization algorithms to determine parameters of the detected lines were implemented in this work. In particular, the stated problem
is relevant to X-ray diffraction and spectroscopy.
Keywords: derivative spectroscopy, approximation, cluster analysis, Gaussian function, heuristic algorithm, optimization.
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