DIFRAC

Description

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.

Distribution

• current version (IUCr web site)

If you wish to install and use this software you should always download the most up-to-date version from the above Web site. The links below are to the copies on this CD-ROM, which are suitable for browsing or for use if the Web site is not available. However, they may be out of date and lack the full functionality of the latest version.

• individual source files

Status

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.

Documentation

• General: README file
• Installation: ancill.mat file

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.