Joint X-ray and neutron data refinement of structural and charge density parameters

By P. Coppens, R. Boehme, P. F. Price, E. Stevens. 1981

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Towards automated crystallographic structure refinement with phenix.refine (2012, methodology): “When joint refinement is performed using both X-ray and neutron data (Coppens et al., 1981; Wlodawer & Hendrickson, 1981, 1982; Adams et al., 2009; Afonine, Mustyakimov et al., 2010), it is important to ensure that the cross-validation reflections are consistent between data sets.”
Generalized X-ray and neutron crystallographic analysis: more accurate and complete structures for biological macromolecules (2009, methodology): “…these problems and opportunities, we have developed joint X-ray and neutron structure refinement, which was originally applied to small molecules (Coppens et al., 1981), and combined it with recent advances in modern structure-refinement methodology to provide a new generalized method for…”
Joint X-ray and neutron refinement with phenix.refine. (2010, methodology): “This concept was pioneered in the field of small-molecule crystallography (Coppens et al., 1981) and was subsequently applied to macromolecules (Wlodawer & Hendrickson, 1982; Wlodawer & Sjölin, 1982; Wlodawer et al., 1989); it has more recently been performed with the modified version of CNS, nCNS…”