Buy article online - an online subscription or single-article purchase is required to access this article.
research papers
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.