Structure determination from powder diffraction dataDavid, W.I.F. and Shankland, K. ORCID: https://orcid.org/0000-0001-6566-0155 (2008) Structure determination from powder diffraction data. Acta Crystallographica Section A, 64 (1). pp. 52-64. ISSN 0108-7673 Full text not archived in this repository. It is advisable to refer to the publisher's version if you intend to cite from this work. See Guidance on citing. To link to this item DOI: 10.1107/S0108767307064252 Abstract/SummaryAdvances made over the past decade in structure determination from powder diffraction data are reviewed with particular emphasis on algorithmic developments and the successes and limitations of the technique. While global optimization methods have been successful in the solution of molecular crystal structures, new methods are required to make the solution of inorganic crystal structures more routine. The use of complementary techniques such as NMR to assist structure solution is discussed and the potential for the combined use of X-ray and neutron diffraction data for structure verification is explored. Structures that have proved difficult to solve from powder diffraction data are reviewed and the limitations of structure determination from powder diffraction data are discussed. Furthermore, the prospects of solving small protein crystal structures over the next decade are assessed.
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