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Volume 106, 2010
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Molecular structure from X-ray diffraction

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The main crystallographic databases have increased in size substantially in the last few years and been joined by a free to use alternative. Results from the most recent crystal structure prediction exercise show that there has been a significant advance in the methods used. The principal improvements in structure solution methods include the extension of techniques originally developed for protein structure determination to powder crystallography, and the application of low resolution phasing information from solution scattering to solid-state structure analysis. Methods for validating structures have highlighted some examples of problems arising from careless work and obvious fraud.

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Publication details

The article was first published on 01 Apr 2010

Article type: Review Article
DOI: 10.1039/B811055G
Annu. Rep. Prog. Chem., Sect. C: Phys. Chem., 2010,106, 192-210

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    Molecular structure from X-ray diffraction

    H. R. Powell, Annu. Rep. Prog. Chem., Sect. C: Phys. Chem., 2010, 106, 192
    DOI: 10.1039/B811055G

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