Automated structure-factor refinement from convergent-beam electron diffraction patterns

An improved algorithm is described for automated structure-factor refinement using convergent-beam electron diffraction patterns. In addition to refinement of structure factors, absorption coefficients and sample thickness, the new algorithm includes beam-direction refinement, the inclusion of weak-beam effects using the Bethe potential and the inclusion of finite-sized detector effects. The use of these new features is illustrated through the refinement of the MgO 200 systematic reflections.