Published February 1, 1990 | Version v1
Journal article

The program SAPI and its applications. Pt. 3

  • 1. Academia Sinica, Beijing (China). Inst. of Physics
  • 2. Zhongshan Univ., Guangzhou, GD (China). Dept. of Chemistry

Description

Optimization has been made of the program SAPI for automatic solution of structures having pseudotranslational symmetry. This includes: (1) Floating default cutoff of E's; (2) automatic and user-adjustable balance between the number of systematically strong reflections and that of the systematically weak ones; (3) R factors for reflection subsets corresponding to the 'strong' group and the 'weak' groups. Examples on solving structures with pseudo-translational symmetry are discussed in detail. They include known as well as unknown structures and centrosymmetric as well as non-centrosymmetric structures, all of which can be solved starting from a default run of SAPI. (orig.)

Additional details

Additional titles

Subtitle (English)
Determination of structures having pseudo-translational symmetry

Publishing Information

Journal Title
Acta Crystallographica. Section A: Foundations of Crystallography
Journal Volume
46
Journal Issue
2
Series
Acta Crystallogr., Sect. A: Found. Crystallogr.
Journal Page Range
99-103
ISSN
0108-7673
CODEN
ACACE

INIS

Country of Publication
Denmark
Country of Input or Organization
Denmark
INIS RN
22020291
Subject category
S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
Descriptors DEI
COMPUTER CALCULATIONS; CRYSTAL STRUCTURE; CRYSTALLOGRAPHY; PROGRAMMING; SPACE GROUPS; SYMMETRY
Descriptors DEC
SYMMETRY GROUPS