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Nature
Article . 1948 . Peer-reviewed
License: Springer TDM
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Acta Crystallographica
Article . 1948 . Peer-reviewed
License: IUCr Copyright and Licensing Policy
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image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao
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The Fourier Method of Crystal Structure Analysis

The Fourier method of crystal structure analysis
Authors: Cochran, E.;

The Fourier Method of Crystal Structure Analysis

Abstract

Alternative methods which could be used to derive accurate atomic co-ordinates from the data provided by an X-ray investigation of a crystal structure are discussed. It is shown that the customary Fourier series method is closely related to the least-squares method applied to this problem by Hughes. On the basis of this result a way in which the Fourier method can be modified to give less weight to certain coefficients has been discovered. The effect of terminating the Fourier series or introducing an artificial temperature factor is also investigated from the point of view of the relation between the Fourier and least-squares solutions. It is concluded that no significant increase in accuracy could be obtained by abandoning the Fourier method.

Keywords

Structure of matter

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
19
Top 10%
Top 10%
Average
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