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The application of phase relationships to complex structures. VlI. Magic integers

The application of phase relationships to complex structures. VlI. Magic integers With phases expressed in cycles so that 0 < 1 it is possible with a single symbol x, in the range 0 to 1, to represent several phases, say m, by = nix mod (1) where i runs from 1 to m and the integers, ni, are referred to as 'magic integers'. A starting set of phases may consist of some which fix the origin and enantiomorph, some known by 1 relationships for example and others given magic-integer representation in terms of x, y and z. Relationships between the starting-set phases then appear in the form Hx + Ky + Lz + b 0, and maxima of the function, = |E1rE2rE3r| cos {2(Hrx + Kry + Lrz + b)} , lead to sets of possible values of the unknown phases in the starting set of reflexions. By means of the magic-integer process complex structures requiring very large starting sets may be tackled. Examples of the application of the method are given. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Acta Crystallographica Section A: Crystal Physics, Diffraction, Theoretical and General Crystallography International Union of Crystallography

The application of phase relationships to complex structures. VlI. Magic integers

The application of phase relationships to complex structures. VlI. Magic integers


Abstract

With phases expressed in cycles so that 0 < 1 it is possible with a single symbol x, in the range 0 to 1, to represent several phases, say m, by = nix mod (1) where i runs from 1 to m and the integers, ni, are referred to as 'magic integers'. A starting set of phases may consist of some which fix the origin and enantiomorph, some known by 1 relationships for example and others given magic-integer representation in terms of x, y and z. Relationships between the starting-set phases then appear in the form Hx + Ky + Lz + b 0, and maxima of the function, = |E1rE2rE3r| cos {2(Hrx + Kry + Lrz + b)} , lead to sets of possible values of the unknown phases in the starting set of reflexions. By means of the magic-integer process complex structures requiring very large starting sets may be tackled. Examples of the application of the method are given.

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Publisher
International Union of Crystallography
Copyright
Copyright (c) 1975 International Union of Crystallography
ISSN
0567-7394
DOI
10.1107/S0567739475000095
Publisher site
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Abstract

With phases expressed in cycles so that 0 < 1 it is possible with a single symbol x, in the range 0 to 1, to represent several phases, say m, by = nix mod (1) where i runs from 1 to m and the integers, ni, are referred to as 'magic integers'. A starting set of phases may consist of some which fix the origin and enantiomorph, some known by 1 relationships for example and others given magic-integer representation in terms of x, y and z. Relationships between the starting-set phases then appear in the form Hx + Ky + Lz + b 0, and maxima of the function, = |E1rE2rE3r| cos {2(Hrx + Kry + Lrz + b)} , lead to sets of possible values of the unknown phases in the starting set of reflexions. By means of the magic-integer process complex structures requiring very large starting sets may be tackled. Examples of the application of the method are given.

Journal

Acta Crystallographica Section A: Crystal Physics, Diffraction, Theoretical and General CrystallographyInternational Union of Crystallography

Published: Jan 1, 1975

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