ON THE APPLICATION OF LEAST-SQUARES REFINEMENT TO COMPLEX STRUCTURES——RESOLVING ENANTIOMORPHOUS PHASE AMBIGUITY

贺存恒; 郑启泰

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ON THE APPLICATION OF LEAST-SQUARES REFINEMENT TO COMPLEX STRUCTURES——RESOLVING ENANTIOMORPHOUS PHASE AMBIGUITY

中国医学科学杂志（英文版） 1990年第2期页码：61-63

Updated：2024-04-10

- ON THE APPLICATION OF LEAST-SQUARES REFINEMENT TO COMPLEX STRUCTURES——RESOLVING ENANTIOMORPHOUS PHASE AMBIGUITY
- Affiliations：
  
  1. Institute of Materia Medica CAMS
  2. ,China
- Author bio：
- Funds：
- DOI：
  中图分类号：
- 纸质出版日期：1990
- Accepted：
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[1]贺存恒,郑启泰.ON THE APPLICATION OF LEAST-SQUARES REFINEMENT TO COMPLEX STRUCTURES——RESOLVING ENANTIOMORPHOUS PHASE AMBIGUITY[J].Chinese Medical Sciences Journal,1990(02):61-63.

ON THE APPLICATION OF LEAST-SQUARES REFINEMENT TO COMPLEX STRUCTURES——RESOLVING ENANTIOMORPHOUS PHASE AMBIGUITY[J]. Chinese medical sciences journal, 1990, (2): 61-63.
[1]贺存恒,郑启泰.ON THE APPLICATION OF LEAST-SQUARES REFINEMENT TO COMPLEX STRUCTURES——RESOLVING ENANTIOMORPHOUS PHASE AMBIGUITY[J].Chinese Medical Sciences Journal,1990(02):61-63. DOI：

ON THE APPLICATION OF LEAST-SQUARES REFINEMENT TO COMPLEX STRUCTURES——RESOLVING ENANTIOMORPHOUS PHASE AMBIGUITY[J]. Chinese medical sciences journal, 1990, (2): 61-63. DOI：

摘要

<正> A least.squares refinement procedure has been proposed for resolving enantiomorphous am-biguity of noncentrosymmetric structures containing heavy atoms in a centrosymmetric ar-rangement.During the least-squares refinement of a pseudo-centrosymmetric image containingboth enantiomorphs

the temperature factors of atoms in one enantiomorph shift in the samedirection

while those of the other shift in the opposite direction.Accordingly the truestructure can be distinguished easily from its enantiomorph.Tests on four unknown struc-tures have shown that the method is very powerful.

Abstract

A least.squares refinement procedure has been proposed for resolving enantiomorphous am- biguity of noncentrosymmetric structures containing heavy atoms in a centrosymmetric ar- rangement.During the least-squares refinement of a pseudo-centrosymmetric image containing both enantiomorphs

the temperature factors of atoms in one enantiomorph shift in the same direction

while those of the other shift in the opposite direction.Accordingly the true structure can be distinguished easily from its enantiomorph.Tests on four unknown struc- tures have shown that the method is very powerful.

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