计算机程序
X射线
中子
结晶学
散射
衍射
计算机科学
对称(几何)
空格(标点符号)
粉末衍射
反常散射
中子衍射
物理
计算物理学
光学
数学
几何学
核物理学
化学
程序设计语言
操作系统
作者
K. Yvon,Wolfgang Jeitschko,E. Parthé
标识
DOI:10.1107/s0021889877012898
摘要
A computer program has been written with the aim of calculating powder patterns without the use of crystallographic tables. This has been achieved by deriving all symmetry information such as general equivalent positions from the Hermann-Mauguin space-group symbols, by calculating automatically the multiplicities of special positions and by storing the necessary constants, such as scattering factor tables, anomalous dispersion correction terms and X-ray wavelengths in the program. Owing to the very restricted amount of input data this program is especially suited for users with a limited knowledge of crystallography.
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