STRENGTHENING OF QUARTET INVARIANT ESTIMATES VIA THE PRIOR ESTIMATION OF TRIPLET RELATIONSHIPS

被引:1
作者
BURLA, MC [1 ]
CASCARANO, G [1 ]
GIACOVAZZO, C [1 ]
GUAGLIARDI, A [1 ]
机构
[1] DIPARTIMENTO GEOMINERAL,CNR,INST RIC SVILUPPO METODOL CRISTALLOGR,I-70124 BARI,ITALY
来源
ACTA CRYSTALLOGRAPHICA SECTION A | 1994年 / 50卷
关键词
D O I
10.1107/S0108767393011304
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Formulas for estimating quartet invariants depend on prior information on triplet invariants. If this coincides with the Cochran estimate then the classical quartet formulas [Hauptman (1975). Acta Cryst. A31, 680-687; Giacovazzo (1976). Acta Cryst. A32, 91-99, 100-104] are obtained. A mathematical theory is described that improves quartet estimates by exploiting some prior information on triplets. Special emphasis is devoted to the prior estimate of triplet invariants provided by the P10 formula.
引用
收藏
页码:325 / 329
页数:5
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