Dy. Guo et al., ON INTEGRATING THE TECHNIQUES OF DIRECT-METHODS WITH ANOMALOUS-DISPERSION .3. ESTIMATION OF 2-WAVELENGTH 2-PHASE STRUCTURE-INVARIANTS, Acta crystallographica. Section A, Foundations of crystallography, 50, 1994, pp. 307-311
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 ot
her four are mixed-wavelength invariants. It is shown that the latter
can be estimated by a straightforward extension of results from the pr
obabilistic 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 re
ported for small-molecule and macromolecular examples.