Computer-Aided Indexing and Simulation of Transmission Electron Diffraction Patterns

Abstract

The process of indexing electron diffraction patterns is well established and reasonably straightforward. However, in the more complicated crystal systems (e.g. hexagonal, rhombohedral, orthorhombic and monoclinic), indexing and orientation determination is not always simple. In order to considerably ease the tedium of routinely indexing such electron diffraction patterns, automation of the procedure has been carried out in our laboratory by the use of two computer programs written in conversational Fortran.Simplified flow diagrams of the two programs are shown in Figure 1. The first program (Figure 1a) indexes diffraction spots whose x and y coordinates are obtained from an experimental pattern and supplied, along with crystal structure, lattice constants, space group restrictions, camera constant, and the position and angle errors allowable.