Mm. Woolfson et Jx. Yao, ON THE APPLICATION OF ONE-WAVELENGTH ANOMALOUS SCATTERING .4. THE ABSOLUTE-CONFIGURATION OF THE ANOMALOUS SCATTERERS, Acta crystallographica. Section D, Biological crystallography, 50, 1994, pp. 7-10
An essential first step in most techniques for using anomalous-scatter
ing data for phase determination is to determine the positions of the
anomalous scatterers. This is usually done by use of the anomalous dif
ferences, either as input to a direct-methods procedure or to produce
a Patterson map. If the arrangement of anomalous scatterers is noncent
rosymmetric then it is also necessary to find their absolute configura
tion and a process is described for doing this based on the properties
of the P-s function [Okaya, Saito and Pepinsky (1955). Phys. Rev. 98,
1857-1858]. If the arrangement of anomalous scatterers is centrosymme
tric then the problem does not occur.