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Original Articles

Weighting Schemes in Least Squares Structure Refinement: Choice of Suitable Constants by Graphical and Computer Methods

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Pages 175-183 | Published online: 09 Jul 2006
 

Abstract

The need for a weighting scheme in the refinement of X‐ray crystal structures by least squares methods is explained, and the two most commonly used equations due to Hughes and Cruickshank are discussed. A graphical method for obtaining constants for a Cruickshank type of weighting scheme is described, and a mathematical method which does this more precisely is presented together with a FORTRAN IV computer program to do this on an ICL 1905 computer.

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