DIFRAC converts single-crystal diffractometer output files as produced by manufacturers' software into a standardized instrument-independent form consisting of a clear, complete, well-documented record of the sample and the diffraction measurements performed upon it. Information not already available in the manufacturers' diffractometer files is obtained in an interactive question-and-answer session. Output is in CIF (Crystallographic Information File) format.
The software is written in a modular way. The original authors of DIFRAC provided modules for Enraf-Nonius CAD-4, Philips PW1100, Siemens P21, Stoe STADI4 single-crystal diffractometers and later a module for Rigaku-Denki RD5 by J.R. Hester was kindly made available.
Language and platform
The software is written in Fortran and should compile and run on any common operating system with a Fortran compiler. Code for users of the Xtal crystallographic software system is written in Ratmac, the mcro-enhanced rational Fortran dialect in which Xtal is distributed.
Terms and conditions of use
Copyright in the software © the authors.
Authors: H. D. Flack, E. Blanc, D. Schwarzenbach and J. Hester
The software is distributed here under the standard terms and conditions of use applying to software associated with International Tables for Crystallography Volume G.