Interpretation of electron diffraction data from organic microcrystals: a theoretical perspective.

Abstract

The current framework for the quantitative analysis of transmission electron diffraction data from organic microcrystals is discussed. The appropriate formulation depends upon the crystal perfection: solution-grown material tends to be nearly perfect with regular elastic bends whilst the epitaxial samples are usually considerably less perfect with highly irregular bends. It is possible to obtain Bragg intensity data which are near-kinematical and thus amenable to ab initio structure analysis. Thereafter, the further refinement of the model proceeds with a consideration of dynamical and crystal bending effects. If both of these are small it is a good approximation to analyse them independently rather than use the correct description of dynamical scattering from a deformed foil. The analysis of three-dimensional data sets from tilt series is considered. Although the technique has been successfully demonstrated in several instances there are still details of the analysis that need further clarification.