Published in

International Union of Crystallography, Journal of Applied Crystallography, 5(32), p. 963-967, 1999

DOI: 10.1107/s0021889899007165

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Solving crystal structures from powder data. V. Located molecular fragment and powder-pattern decomposition

This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Abstract

In direct procedures for crystal structure solution from powder data, information on the location and orientation of a molecular fragment may readily become available. Such information may be used retrospectively to improve the powder-pattern decomposition, with favourable effects on the phasing process. A method is described by which accurate estimation of a large number of structure-factor moduli is possible by exploiting the prior partial structural information.