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"Humanities and Science University Journal" №17 (Physical and mathematical, biological and technical science), 2016

Applied Data Processing for X-ray Diffraction Analysis and Optical Spectroscopy

Yu. S. Lomaev
Price: 50 руб.
 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.
1. Yatsenko, A.S. Optical spectra of the F- and Ne-like ions [Оптические спектры
F- и Ne-подобных ионов]. 2012, Novosibirsk: Nauka.
2. Dorozhko, S.V., & Makarevich, N.F. Analytical chemistry [Аналитическая
химия]. 2010, Belarus: BNTU.
3. Jingping, X., Xiangyu, L., & Jinrui, Zh. FC-NIRS: A Functional Connectivity
Analysis Tool for Near-Infrared Spectroscopy Data. BioMed Research International,
2015, Vol. 2015, Article ID 248724. doi: 10.1155/2015/248724
4. Zabluda, V.N., Ovchinnikov, S.G., Potseluiko, A.M., & Kharlamova, S.A. Optical
Properties and Electronic Structure of Rare-Earth Ferroborates [Оптические свойства
и электронная структура редкоземельных ферроборатов]. Physics of the Solid State,
2005, Vol. 47, pp. 474–479.
5. Tregouet, H., Caurant, D., Majerus, O., Charpentier, Th., Cormier, L., & Pytalev, D. Spectroscopic Investigation and Crystallization Study of Rare Earth Metaborate
Glasses. Procedia Materials Science, 2014, Vol. 7, 131–137.
6. Sergienko, A.B. Digital signals processing [Цифровая обработка сигналов].
2006, SPb: Piter.
7. Haykin, S. Adaptive Filter Theory (4th ed.). 2002, UK: Prentice Hall.
8. Talsky, G. Derivative Spectrophotometry: Low and High Order. 2004, Germany:
9. Har-Peled, S. Clustering motion. Discrete & Computational Geometry, 2004,
31(4), 545–565.
10. Hai-Jew, S. (Ed.), Enhancing Qualitative and Mixed Methods Research with
Technology. 2014, USA: IGI Global.
11. van Laarhoven, P.J.M., & Aarts, E.H.L. Simulated Annealing: Theory and Applications. 1987, Netherlands: Kluwer Academic Publishers.
12. Himmelblau, D.M. Applied Nonlinear Programming. 1972, USA: McGraw-Hill.
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