SIR97: a new tool for crystal structure determination and refinement

Authors
Altomare, A Burla, MC Camalli, M Cascarano, GL Giacovazzo, C Guagliardi, A Moliterni, AGG Polidori, G Spagna, R
Citation
A. Altomare et al., SIR97: a new tool for crystal structure determination and refinement, J APPL CRYS, 32, 1999, pp. 115-119
Citations number
22
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF APPLIED CRYSTALLOGRAPHY
ISSN journal
00218898 → ACNP
Volume
32
Year of publication
1999
Part
1
Pages
115 - 119
Database
ISI
SICI code
0021-8898(19990201)32:<115:SANTFC>2.0.ZU;2-1
Abstract
SIR97 is the integration of two programs, SIR92 and CAOS, the first devoted to the solution of crystal structures by direct methods, the second to ref inement via least-squares-Fourier procedures Several new features have been introduced in SIR97 with respect to the previous version, SIR92: greater a utomatization, increased efficiency of the direct methods section, and a po werful graphics interface. The program also provides publication tables and CIF files.