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

被引:26
作者
JANSEN, J
PESCHAR, R
SCHENK, H
机构
[1] Laboratory for crystallography, University of Amsterdam, 1018 WV Amsterdam
来源
ZEITSCHRIFT FUR KRISTALLOGRAPHIE | 1993年 / 206卷
关键词
DIRECT METHODS; POWDER DIFFRACTION; OPTIMAL SYMBOLIC ADDITION; SIMPEL88; INTENSITY WEIGHTING;
D O I
10.1524/zkri.1993.206.Part-1.33
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
Application of Direct Methods to reflection intensities obtained by powder diffraction is often obstructed by the fact that not all intensities are reliable. In this paper a weighting scheme is proposed to overcome this problem. The scheme is implemented in the Direct Methods program SIMPEL88 in such a way that phase relations containing overlapping reflections are less probable than they would have been containing very reliable reflections only. Preliminary test results show that this way of tackling the problem is very promising.
引用
收藏
页码:33 / 43
页数:11
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