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Titolo:
THE DIRDIF SCALING PROCEDURES - RESCALING FOR STRUCTURES SHOWING SUPERSTRUCTURE EFFECTS
Autore:
ISRAEL R; SMYKALLA C; DEGELDER R; BEURSKENS PT;
Indirizzi:
CATHOLIC UNIV NIJMEGEN,MAT RES INST,CRYSTALLOG LAB,TOERNOOIVELD 1 6525 ED NIJMEGEN NETHERLANDS
Titolo Testata:
Zeitschrift fur Kristallographie
fascicolo: 12, volume: 210, anno: 1995,
pagine: 909 - 919
SICI:
0044-2968(1995)210:12<909:TDSP-R>2.0.ZU;2-6
Fonte:
ISI
Lingua:
ENG
Soggetto:
CRYSTAL-STRUCTURE;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Science Citation Index Expanded
Citazioni:
26
Recensione:
Indirizzi per estratti:
Citazione:
R. Israel et al., "THE DIRDIF SCALING PROCEDURES - RESCALING FOR STRUCTURES SHOWING SUPERSTRUCTURE EFFECTS", Zeitschrift fur Kristallographie, 210(12), 1995, pp. 909-919

Abstract

The DIRDIF program system for solving crystal structures using Patterson procedures and direct methods applied to difference-structure factors, uses a variety of X-ray intensity scaling procedures based on theformulae of Wilson (1942), and when part of the structure is known, Parthasarathy (1966), and Gould, Van den Hark and Beurskens (1975). Applications of these procedures to various heavy atom structures are discussed. A new scaling procedure is presented which is based on the relative frequency of calculated partial structure factors being larger than the observed structure factors on an absolute scale. This procedure is especially useful for structures with superstructure effects.

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Documento generato il 28/11/20 alle ore 17:47:10