Catalogo Articoli (Spogli Riviste)

OPAC HELP

Titolo:
SYMMETRY AND THE GENERALIZED MAXIMUM DETERMINANT RULE
Autore:
DEGELDER R; ELOUT MO; DEGRAAFF RAG; SCHENK H;
Indirizzi:
LEIDEN UNIV,GORLAEUS LABS,DEPT XRAY,POB 9502 2300 RA LEIDEN NETHERLANDS LEIDEN UNIV,GORLAEUS LABS,DEPT XRAY,POB 9502 2300 RA LEIDEN NETHERLANDS
Titolo Testata:
Zeitschrift fur Kristallographie
, volume: 207, anno: 1993,
parte:, 2
pagine: 237 - 243
SICI:
0044-2968(1993)207:<237:SATGMD>2.0.ZU;2-F
Fonte:
ISI
Lingua:
ENG
Soggetto:
HAUPTMAN;
Keywords:
DIRECT METHODS; KARLE-HAUPTMAN MATRICES; MAXIMUM DETERMINANT RULE;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Science Citation Index Expanded
Citazioni:
9
Recensione:
Indirizzi per estratti:
Citazione:
R. Degelder et al., "SYMMETRY AND THE GENERALIZED MAXIMUM DETERMINANT RULE", Zeitschrift fur Kristallographie, 207, 1993, pp. 237-243

Abstract

In the general case of a Karle-Hauptman matrix containing no symmetryequivalent reflections, maximizing the determinant as a function of the phases does not necessarily lead to an unambiguous solution of the phase problem. Individual phases may be shifted from their correct values in a seemingly completely arbitrary way. This problem is discussedin simple mathematical terms and a method is proposed allowing the identification of those elements in a Karle-Hauptman matrix possibly suffering from the effects discussed, given the space-group symmetry and the composition of the matrix. The conclusion reached in this paper isthat only the presence of a sufficiently large number of symmetry equivalent reflections and/or Friedel opposites in a Karle-Hauptman matrix causes the Generalized Maximum Determinant Rule to be an effective tool in ab initio phase determination.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 27/11/20 alle ore 09:58:47