Computer Programs for Reduction of X-Ray Diffraction Data for Oriented Polycrystalline Specimens

摘要

A set of programs have been written to process data on oriented polycrystalline samples. he programs are written in Fortran IV for the CDC 6400 computer, and modifications for running on the UNIVAC 1106 or 1108 are available. The programs are divided into three parts: RADLSC, which processes radial (2 theta) scan data; UNAXSC, which processes uniaxial orientation data; and BIAXSC, which processes biaxial orientation data. Data correnctions include background, Compton scattering, absorption, polarization, and balanced filter corrections. The processed data may be plotted on a Calcomp plotter, or, in some instances, directly on a line printer. A subroutine is available for fitting as amy as eight overlapping Gauss or Cauchy function peaks to a set of radial or uniaxial can data. Similarly, orientation measurements may be corrected for overlap of different diffraction peaks. THE PROGRAMS ALSO WILL CALCULATE VARIOUS MOMENTS OF THE INTENSITY DISTRIBUTION FOR ORIENTED SAMPLES TO AID IN INVERSION OF POLE FIGURES. In addition, partial pole figures obtained in reflection and transmission may be merged. The programs are written to accept data generated by a specific set of PDP-8 programs used with the Picker FACS-1 automated system. Input statements have been isolated, however, to facilitate changes in the input data format. (Author)