¹School of Automation, China University of Geosciences, No. 388, Lumo Road, Wuhan, China, 430074
²Department of Mechanical and Electronic information, China University of Geosciences, No. 388, Lumo Road, Wuhan, China, 430074.
³School of Electrical and Information Engineering, Wuhan Institute of Technology, No. 206, Guanggu Road, Wuhan, , China, 430074.

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Abstract—With the development of portable X-ray diffractometer for in-situ analysis, powder diffraction patterns are obtained in a diffractometer with a two-dimensional area detector. However, detector system and experimental geometry introduces distortion into acquired data. To obtain accurate diffraction pattern information, it is necessary to apply calibrations. Position of the X-ray incident beam centre on the detector and any non-orthogonality of the detector to the direct beam are the primary considerations. Although many calibration methods have been developed to calculate the intensity-scattering-angle dependence, there are few comparation between them. The purpose of this paper is to investigate these methods. The methods considered include the histogram method, the coordinate transformation method and the Nelder-Mead Simplex method. From the achievement of qualitative analysis angle, we experimentally compare the performance of the methods and illustrate properties such as accuracy and computational efficiency.

Index Terms—X-ray diffraction pattern, calibration methods, computational efficiency, accuracy.

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Cite: Fang Gong, Xiaoyong Ni, Dianhong Wang, Xingfeng Guo, "A Comparative Study of X ray Diffraction Pattern Obtaining Methods for Portable Diffractometer," Journal of Software vol. 12, no. 12, pp. 914-922, 2017.