AN ALGORITHM FOR AUTOMATIC INDEXING AND BRAVAIS LATTICE SELECTION the Programs BLIND and ALICE

摘要

This report describes an algorithm which has been developed and implemented in PL/I to automatically determine the indices and other reciprocal lattice information from positions of a dozen or so reflections obtained from either four-circle diffractometer or precession-film methods. Output includes the indices, reduced cell dimensions, and the reduced cell scalars for ready Bravais lattice determination.nTwo versions of the program are described. One version, ALICE, is designed for use on a computer supporting PL/I and having capability for interactive control of a four-circle diffractometer. The other version, BLIND, is designed for use when interactive control is not feasible. This report contains descriptions, operating instructions, and documentation for both ALICE and BLIND.