A single-crystal automatic indexing procedure

An algorithm has been developed and implemented to determine automatically the indices and other reciprocal-lattice information from the positions of a dozen or so arbitrary reflections on a four-circle diffractometer. Output includes the indices, reduced cell dimensions, and the reduced cell scalars for Bravais lattice determination. Illustrations of the use of the indexing procedure both with the four-circle diffractometer and with precession camera techniques are given. A comparison to some other autoindexing procedures is also given.