Multiple diffraction data analysis for macromolecular crystals in stereoscopic multibeam imaging.

A detailed analysis of multiple diffraction data collected by the stereoscopic multibeam imaging technique from a tetragonal lysozyme crystal is reported. Calculations based on the dynamical theory are employed to account for diffraction profiles obtained with Bragg-angle scan in stereoscopic imaging and the conventional azimuthal scan in Renninger arrangement. The formation of a multibeam intensity profile and the relationship and mutual influence between the two scans are investigated. A simple practical method of quantitative estimation of the reflection phases of structure-factor multiplets from the experimental data obtained with two inversion-symmetry-related diffractions is proposed. The procedures for data handling and for distinguishing "partial" diffraction images from "full" diffraction images are also developed considering multibeam diffraction geometry and experimental conditions. These procedures thus provide a practical way of reconstructing diffraction profiles for experimental phase determination for macromolecular crystals.