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Topas is a powerful suite of software written by Alan Coelho for the analysis of powder diffraction data. Some highlights of our research enabled by Topas are given here. Bruker ( market the original version of topas which comes with a full graphical user interface. An academic-only version is available from Alan Coelho for around 500 Euros.

The academic version is run by editing a text based input file which allows you access to all the features of topas. In Durham we've been using “jedit” which is a freely downloadable editor to work with topas input files. jedit has a powerful macro language that lets you customise it to work with input files. The files can be colour-coded to make them easy to view. You can also run programmes from within jedit which allows you to control topas and its ancillary programmes from within the editor. jedit macros considerably speed up the writing/editing of topas input files. If you want to use our jedit menus then final responsibility for the suitability of the resulting .inp files lies with you.

Topas allows you to:

  • analyse constant wavelength and energy dispersive X-ray data
  • analyse constant wavelength and time of flight neutron data
  • perform Rietveld/Pawley/individual reflection fitting
  • index powder diffraction data
  • solve structures by simulated annealing
  • perform isodisplace distortion mode refinements
  • etc

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