Computerized data collection and reduction from an X-ray diffractometer

Abstract

A series of computer programs written for use with a Philips X-ray diffractometer and a Hewlett Packard 9825A desk top computer is described. These programs permit the collection and storage on disk of the number of x-ray counts and the associated 2-thera angles across line profiles. Automatic background subtraction, integrated intensity, correction for the angular dependance of the Lorentz, polarization, and atomic scattering factors, peak location, K-alpha 2 removal, and calculation of Fourier coefficients are performed. The programs are written for a computer configured with a disk drive, but they can be easily modified to run from the cassette tape drive that is integral to the 9825A computer