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Probability distribution of X-ray intensities in a noncentrosymmetric crystal with a degree of centrosymmetry

Probability distribution of X-ray intensities in a noncentrosymmetric crystal with a degree of... The expression for the probability distribution of X-ray intensities is obtained for a non-centrosymmetric crystal possessing an approximate centre of symmetry and from this the acentric and centric distributions of Wilson are deduced as limiting cases. Theoretical expressions for the variance, test ratio Q and moments of the normalized intensity z are also obtained in terms of the parameter <|r|> which is a measure of the degree of centrosymmetry. From the theoretical results it appears that the non-centrosymmetric nature of such a crystal could be detected by statistical tests, provided accurate z values are available and reflexions with high (sin /) values are used for the test. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Acta Crystallographica Section A: Crystal Physics, Diffraction, Theoretical and General Crystallography International Union of Crystallography

Probability distribution of X-ray intensities in a noncentrosymmetric crystal with a degree of centrosymmetry

Probability distribution of X-ray intensities in a noncentrosymmetric crystal with a degree of centrosymmetry


Abstract

The expression for the probability distribution of X-ray intensities is obtained for a non-centrosymmetric crystal possessing an approximate centre of symmetry and from this the acentric and centric distributions of Wilson are deduced as limiting cases. Theoretical expressions for the variance, test ratio Q and moments of the normalized intensity z are also obtained in terms of the parameter <|r|> which is a measure of the degree of centrosymmetry. From the theoretical results it appears that the non-centrosymmetric nature of such a crystal could be detected by statistical tests, provided accurate z values are available and reflexions with high (sin /) values are used for the test.

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Publisher
International Union of Crystallography
Copyright
Copyright (c) 1974 International Union of Crystallography
ISSN
0567-7394
DOI
10.1107/S0567739474000763
Publisher site
See Article on Publisher Site

Abstract

The expression for the probability distribution of X-ray intensities is obtained for a non-centrosymmetric crystal possessing an approximate centre of symmetry and from this the acentric and centric distributions of Wilson are deduced as limiting cases. Theoretical expressions for the variance, test ratio Q and moments of the normalized intensity z are also obtained in terms of the parameter <|r|> which is a measure of the degree of centrosymmetry. From the theoretical results it appears that the non-centrosymmetric nature of such a crystal could be detected by statistical tests, provided accurate z values are available and reflexions with high (sin /) values are used for the test.

Journal

Acta Crystallographica Section A: Crystal Physics, Diffraction, Theoretical and General CrystallographyInternational Union of Crystallography

Published: May 1, 1974

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