On the number of statistically independent observations in a powder diffraction pattern

被引:57
作者
Altomare, A [1 ]
Cascarano, G [1 ]
Giacovazzo, C [1 ]
Guagliardi, A [1 ]
Moliterni, AGG [1 ]
Burla, MC [1 ]
Polidori, G [1 ]
机构
[1] UNIV PERUGIA,DIPARTIMENTO SCI TERRA,I-06100 PERUGIA,ITALY
关键词
D O I
10.1107/S0021889895009757
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
When in a powder diffraction pattern two or more peaks heavily overlap, the integrated intensities of the overlapping reflections are correlated. This paper describes a method, based on the study of the peak overlap, which estimates the number of statistically independent intensities associated with a powder diagram. Such a number can be useful for forecasting the rate of success of direct-methods procedures for ab initio crystal structure solution and for evaluating a priori the efficiency of least-squares programs devoted to crystal structure refinement.
引用
收藏
页码:738 / 744
页数:7
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