A search–match system for X-ray powder diffraction data

Abstract

A computer program which can identify the crystalline component phases of a mixture from its X-ray diffraction pattern is described. The program uses the data base of powder diffraction patterns maintained by the Joint Committee on Powder Diffraction Standards. The `reverse searching' technique employed permits the identification of each component and provides an estimate of confidence in the identification. Errors in measured spacings and intensities are tolerated by the program. The interactive search-match system is available for general use via a networked timeshared computer.