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Estimates of triplet invariants given a model structure

Estimates of triplet invariants given a model structure The triplet structure invariant is estimated via the method of joint probability distribution functions when a model structure is available. The six‐variate probability distribution function P(Eh, Ek, E−h−k, Eph, Epk, Ep,−h−k) is studied under the condition that imperfect isomorphism between the target and model structures exist. The results are compared with those available in the literature, which were obtained under the condition of perfect isomorphism. It is shown that the new formalism is more suitable for real cases, where perfect isomorphism is very rare. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Acta Crystallographica Section A Foundations of Crystallography Wiley

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References (35)

Publisher
Wiley
Copyright
Copyright © 2012 Wiley Subscription Services, Inc., A Wiley Company
ISSN
0108-7673
eISSN
1600-5724
DOI
10.1107/S0108767312022751
Publisher site
See Article on Publisher Site

Abstract

The triplet structure invariant is estimated via the method of joint probability distribution functions when a model structure is available. The six‐variate probability distribution function P(Eh, Ek, E−h−k, Eph, Epk, Ep,−h−k) is studied under the condition that imperfect isomorphism between the target and model structures exist. The results are compared with those available in the literature, which were obtained under the condition of perfect isomorphism. It is shown that the new formalism is more suitable for real cases, where perfect isomorphism is very rare.

Journal

Acta Crystallographica Section A Foundations of CrystallographyWiley

Published: Jan 1, 2012

Keywords: ; ;

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