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Optimization of quantitative X‐ray diffraction analysis
Author(s) -
Szabó P.
Publication year - 1980
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/s0021889880012630
Subject(s) - diffraction , reliability (semiconductor) , simple (philosophy) , phase (matter) , computer science , x ray , statistical analysis , x ray crystallography , basis (linear algebra) , optics , chemistry , physics , mathematics , statistics , thermodynamics , geometry , power (physics) , philosophy , epistemology , organic chemistry
Very little emphasis is generally given to the reliability of the concentrations obtained by the methods of X‐ray diffraction phase analysis. Thus the statistical accuracy of the results is not or only vaguely known. The related optimization problem of choosing the precision of measurement of the diffraction peaks in such a manner that the concentrations of required accuracy be obtained in a minimum time is unsolved in the literature. Owing to the lack of this optimization, the time spent on the diffraction measurements is usually much larger than the accuracy of the results would substantiate. The optimization is elaborated in the present paper. The resulting procedure to be followed is conceptually simple and of general applicability. A computer program has been developed for carrying out all calculations.