ISSN:
1600-5724
Source:
Crystallography Journals Online : IUCR Backfile Archive 1948-2001
Topics:
Chemistry and Pharmacology
,
Geosciences
,
Physics
Notes:
With phases expressed in cycles so that 0 ≤ φ 〈 1 it is possible with a single symbol x, in the range 0 to 1, to represent several phases, say m, by φ = nix mod (1) where i runs from 1 to m and the integers, ni, are referred to as 'magic integers'. A starting set of phases may consist of some which fix the origin and enantiomorph, some known by Σ1 relationships for example and others given magic-integer representation in terms of x, y and z. Relationships between the starting-set phases then appear in the form Hx + Ky + Lz + b ∼ 0, and maxima of the function, ψ = \sum_{r} |E1rE2rE3r| cos {2π(Hrx + Kry + Lrz + b)} , lead to sets of possible values of the unknown phases in the starting set of reflexions. By means of the magic-integer process complex structures requiring very large starting sets may be tackled. Examples of the application of the method are given.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1107/S0567739475000095
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