Abstract
A new method is presented for determining asymmetric and Fourier units based on plane groups for all space groups. These units are specifically designed to improve the calculation of fast Fourier transforms compared with the units derived from asymmetric units in the International Tables for Crystallography, Vol. A. The algorithm can be easily implemented into existing crystallographic programs using a short computer code.
Publisher
International Union of Crystallography (IUCr)
Subject
Inorganic Chemistry,Physical and Theoretical Chemistry,Condensed Matter Physics,General Materials Science,Biochemistry,Structural Biology
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1. Advanced implication theory. Symmetry tables;Acta Crystallographica Section A Foundations and Advances;2024-02-08