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Published January 1983 | Version Published
Journal Article Open

Incorporation of Experimental Phases in a Restrained Least-Squares Refinement

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Abstract

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.

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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Identifiers

Eprint ID
54650
Resolver ID
CaltechAUTHORS:20150210-095920426

Funding

NIH
GM 06920
NSF
PCM-77-11398
American Cancer Society

Dates

Created
2015-02-11
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Updated
2021-11-10
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