APPLICATION OF DIRECT-METHODS TO POWDER DATA - A WEIGHTING SCHEME FORINTENSITIES IN THE OPTIMAL SYMBOLIC ADDITION PROGRAM SIMPEL88

Citation
J. Jansen et al., APPLICATION OF DIRECT-METHODS TO POWDER DATA - A WEIGHTING SCHEME FORINTENSITIES IN THE OPTIMAL SYMBOLIC ADDITION PROGRAM SIMPEL88, Zeitschrift fur Kristallographie, 206, 1993, pp. 33-43
Citations number
17
Categorie Soggetti
Crystallography
ISSN journal
00442968
Volume
206
Year of publication
1993
Part
1
Pages
33 - 43
Database
ISI
SICI code
0044-2968(1993)206:<33:AODTPD>2.0.ZU;2-F
Abstract
Application of Direct Methods to reflection intensities obtained by po wder diffraction is often obstructed by the fact that not all intensit ies are reliable. In this paper a weighting scheme is proposed to over come this problem. The scheme is implemented in the Direct Methods pro gram SIMPEL88 in such a way that phase relations containing overlappin g reflections are less probable than they would have been containing v ery reliable reflections only. Preliminary test results show that this way of tackling the problem is very promising.