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A search–match system for X‐ray powder diffraction data
Author(s) -
Marquart R. G.,
Katsnelson I.,
Milne G. W. A.,
Heller S. R.,
Johnson G. G.,
Jenkins R.
Publication year - 1979
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s0021889879013522
Subject(s) - diffraction , powder diffraction , component (thermodynamics) , x ray crystallography , identification (biology) , computer program , computer science , materials science , x ray , crystallography , optics , chemistry , physics , programming language , thermodynamics , botany , biology
A computer program which can identify the crystalline component phases of a mixture from its X‐ray diffraction pattern is described. The program uses the data base of powder diffraction patterns maintained by the Joint Committee on Powder Diffraction Standards. The `reverse searching' technique employed permits the identification of each component and provides an estimate of confidence in the identification. Errors in measured spacings and intensities are tolerated by the program. The interactive search‐match system is available for general use via a networked timeshared computer.