TY - JOUR
T1 - The crystallographic fast Fourier transform. III. Centred lattices
AU - Rowicka, Małgorzata
AU - Kudlicki, Andrzej
AU - Otwinowski, Zbyszek
PY - 2003/3
Y1 - 2003/3
N2 - 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.
AB - 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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U2 - 10.1107/S010876730300237X
DO - 10.1107/S010876730300237X
M3 - Article
C2 - 12604858
AN - SCOPUS:0037358696
SN - 0108-7673
VL - 59
SP - 183
EP - 192
JO - Acta Crystallographica Section A: Foundations of Crystallography
JF - Acta Crystallographica Section A: Foundations of Crystallography
IS - 2
ER -