Welcome to the new version of CaltechAUTHORS. Login is currently restricted to library staff. If you notice any issues, please email coda@library.caltech.edu
Published January 1983 | Published
Journal Article Open

Incorporation of Experimental Phases in a Restrained Least-Squares Refinement

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.

Attached Files

Published - 14_rees_1983.pdf

Files

14_rees_1983.pdf
Files (365.0 kB)
Name Size Download all
md5:379d412a0a4933032e61bb85dc61a661
365.0 kB Preview Download

Additional details

Created:
August 19, 2023
Modified:
October 20, 2023