THE PROBABILISTIC ESTIMATION OF TRIPLET INVARIANTS - THE FORMULA P13

被引：1
|
作者：
BURLA, MC
GIACOVAZZO, C
MOLITERNI, AGG
PLATAS, JG
机构：
[1] CNR,IST RICERCA SVILUPPO METODOL CRISTALLOG,DIPARTIMENTO GEOMINERAL,I-70124 BARI,ITALY
[2] UNIV LA LAGUNA,DIPARTIMENTO FIS FUNDAMENTAL & EXPTL,LA LAGUNA,SPAIN
来源：
ACTA CRYSTALLOGRAPHICA SECTION A | 1994年 / 50卷
关键词：
D O I：
10.1107/S0108767394004721
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The second representation of a triplet invariant [Giacovazzo (1977). Acta Cryst. A33, 933-944] is a collection of special quintets. In the present paper, the triplet is embedded in many more additional quintets obtained in a special way by symmetry operations on the indices of the structure factors. The method of joint probability distribution functions has been used to derive a formula for estimating triplets via the information contained in the basis and in the cross terms of the quintet invariants. The P10 formula [Cascarano, Giacovazzo, Camalli, Spagna, Burla, Nunzi & Polidori (1984). Acta Cryst. A40, 278-283] is a special case of the new formula, here called P13. The new expression has been applied to practical cases.
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收藏
页码：771 / 778
页数：8
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