DIIS: A cross-platform program for the reduction of X-ray diffraction data from a cylindrical area detector

摘要

A new program capable of rapidly and accurately reducing a two-dimensional X-ray diffraction pattern obtained from a Debye-Scherrer or Gandolfi camera to a quantitative digital diffractogram is described. By implementing geometric optimization routines based on the symmetry and sharpness of diffraction lines, the optimal configuration of the camera, X-ray path, and sample can be determined, thus providing the best possible set of integration parameters. Results for NIST standard reference materials 640c (Si) and 676 (Al_2O_3) are included to illustrate program functionality.