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The crystallographic fast Fourier transform. III. Centred lattices

The crystallographic fast Fourier transform. III. Centred lattices Algorithms for evaluation of the crystallographic FFT for centred lattices are presented. These algorithms can be applied to 80 space groups containing centring operators. For 44 of them, combining these algorithms with those described by Rowicka, Kudlicki & Otwinowski Acta Cryst A59, 172-182 yields the maximal symmetry reduction. For other groups, new algorithms, to be presented in our forthcoming paper Rowicka, Kudlicki & Otwinowski (2003), in preparation, are needed. The requirements on the grid size and how they interact with the choice of algorithms are also discussed in detail. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Acta Crystallographica Section A: Foundations of Crystallography International Union of Crystallography

The crystallographic fast Fourier transform. III. Centred lattices

The crystallographic fast Fourier transform. III. Centred lattices


Abstract

Algorithms for evaluation of the crystallographic FFT for centred lattices are presented. These algorithms can be applied to 80 space groups containing centring operators. For 44 of them, combining these algorithms with those described by Rowicka, Kudlicki & Otwinowski Acta Cryst A59, 172-182 yields the maximal symmetry reduction. For other groups, new algorithms, to be presented in our forthcoming paper Rowicka, Kudlicki & Otwinowski (2003), in preparation, are needed. The requirements on the grid size and how they interact with the choice of algorithms are also discussed in detail.

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References (4)

Publisher
International Union of Crystallography
Copyright
Copyright (c) 2003 International Union of Crystallography
Subject
fast Fourier transform, algorithm, centred lattices
ISSN
0108-7673
eISSN
1600-5724
DOI
10.1107/S010876730300237X
Publisher site
See Article on Publisher Site

Abstract

Algorithms for evaluation of the crystallographic FFT for centred lattices are presented. These algorithms can be applied to 80 space groups containing centring operators. For 44 of them, combining these algorithms with those described by Rowicka, Kudlicki & Otwinowski Acta Cryst A59, 172-182 yields the maximal symmetry reduction. For other groups, new algorithms, to be presented in our forthcoming paper Rowicka, Kudlicki & Otwinowski (2003), in preparation, are needed. The requirements on the grid size and how they interact with the choice of algorithms are also discussed in detail.

Journal

Acta Crystallographica Section A: Foundations of CrystallographyInternational Union of Crystallography

Published: Feb 26, 2003

Keywords: fast Fourier transform; algorithm; centred lattices.

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