Indexing of diffraction patterns for determination of crystal orientations.

The task of determining the orientations of crystals is usually performed by indexing reflections detected on diffraction patterns. The well known underlying principle of indexing methods is universal: they are based on matching experimental scattering vectors to some vectors of the reciprocal lattice. Despite this, the standard attitude has been to devise algorithms applicable to patterns of a particular type. This paper provides a broader perspective. A general approach to indexing of diffraction patterns of various types is presented. References are made to formally similar problems in other research fields, e.g. in computational geometry, computer science, computer vision or star identification. Besides a general description of available methods, concrete algorithms are presented in detail and their applicability to patterns of various types is demonstrated; a program based on these algorithms is shown to index Kikuchi patterns, Kossel patterns and Laue patterns, among others.