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Incorporation of Experimental Phases in a Restrained Least-Squares Refinement

Rees, D. C. and Lewis, Mitchell (1983) Incorporation of Experimental Phases in a Restrained Least-Squares Refinement. Acta Crystallographica. Section A, Foundations of Crystallography, 39 (1). pp. 94-97. ISSN 0108-7673. doi:10.1107/S0108767383000173.

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The least-squares refinement of macromolecular structures is characterized by a low ratio of observed data to refined parameters. Efforts have been made to compensate for this problem by incorporating subsidiary restraints into the observational equations. In this paper, a method is proposed and examples given for the introduction of additional observations into a least- squares refinement in the form of experimental phase information.

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URLURL TypeDescription DOIArticle
Rees, D. C.0000-0003-4073-1185
Additional Information:© 1983 International Union of Crystallography. Received 7 January 1982; accepted 4 August 1982. We would like to acknowledge the interest of Professor W. N. Lipscomb throughout this project and Professor Sir David Phillips for useful discussions. This research was supported by National Institutes of Health Grant GM 06920; National Science Foundation Grant PCM-77-11398 supported the computational facilities. One of us (ML) is the recipient of an American Cancer Society postdoctoral fellowship.
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NIHGM 06920
American Cancer SocietyUNSPECIFIED
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Deposited On:11 Feb 2015 00:06
Last Modified:10 Nov 2021 20:36

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