Publikationsdatum:
1993-01-01
Beschreibung:
In the general case of a Karle-Hauptman matrix containing no symmetry equivalent 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 discussed in 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 is that 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
Print ISSN:
2194-4946
Digitale ISSN:
2196-7105
Thema:
Geologie und Paläontologie
,
Physik
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