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SIRPOW .91 ‐ a direct‐methods package optimized for powder data
Author(s) -
Cascarano G.,
Favia L.,
Giacovazzo C.
Publication year - 1992
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s0021889891013134
Subject(s) - phaser , powder diffraction , direct methods , process (computing) , materials science , computer science , experimental data , computational science , crystallography , process engineering , algorithm , nuclear engineering , physics , chemistry , mathematics , optics , statistics , programming language , engineering
A direct‐methods package optimized for powder data is described. Omission of weak intensities and overlapping reflections can greatly influence the phasing process. Methods are proposed which reduce their adverse effects on the efficiency of direct procedures. The experimental tests prove that SIRPOW .91 is a useful tool for solving crystal structures from both neutron and X‐ray powder data.