On integrating the techniques of direct methods with anomalous dispersion. III. Estimation of two-wavelength two-phase structure invariants

Acta Crystallogr A. 1994 May 1:50 ( Pt 3):307-11. doi: 10.1107/s0108767393009778.

Abstract

For diffraction data at two wavelengths from a crystal with anomalous scatterers, there are six types of two-phase structure invariants for Friedel pairs. Two of the six are single-wavelength invariants; the other four are mixed-wavelength invariants. It is shown that the latter can be estimated by a straightforward extension of results from the probabilistic direct-methods theory for the single-wavelength anomalous scattering case described in paper I [Hauptman (1982). Acta Cryst. A38, 632-641]. Statistical tests of the mixed-wavelength estimates are reported for small-molecule and macro-molecular examples.

Publication types

  • Research Support, U.S. Gov't, P.H.S.

MeSH terms

  • Mathematics
  • Molecular Structure
  • X-Ray Diffraction*