Free crystallographic software
 
In this website several software applications are available for free download. They fall in to several types of applications: 
  • Control software (SINGLE) for four-circle diffractometers.

  • Applications to integrate, merge and correct single-crystal X-ray intensity data during data reduction (WIN-INTEGRSTP, ABSORB and AVERAGE).

  • Software to perform EoS and elasticity calculations, including fitting of equations of state to volume data (EOSFIT) and the calculation of strain tensors and ellipsoids (STRAIN).

  • Miscellaneous crystallographic tools, including the cifReader to help in the handling and analysis of refinement results from parametric refinements. POWF is a program to convert powder diffraction files from one format to another.

More detailed information is available on each software application page and in the users’ guides.


Important Disclaimer

While we try to ensure that the software distributed through this web site is free of bugs and errors, people use this software at their own risk. We cannot accept any responsibility whatsoever for either incorrect results or for any physical, mental or other damage arising from use of the software.

Windows: Some programs will run under Windows-10, others do not at this time. We are working to fix the problems caused by Windows-10 and to maintain backwards-compatability with earlier versions of Windows-XP and 7. Windows-8 is not supported.

Comments

The continuing development of this software is dependent upon the support of users! If you download and use any of this software, please send us an email, as well as referencing the use of the software in any publications. Details for citations are given in each manual. Without your support in this way, the programs cannot be developed!

Many of the improvements to this software arise from feedback from users. Please e-mail your comments and suggestions to us at rossangelsoftware@gmail.com

If you think you have found a bug in the software, please try to check for obvious problems..... most apparent bugs are due to trivial mistakes such as incorrect data file formats (including blank lines) or inappropriate input parameters. If you really have a problem, please send the full details in an e-mail, together with all of the error messages, and the relevant input and output files.

Thank you!