Listed here are some of them:
- Topas has a batch command on top of the GUI and kernel; and Topas BBQ is widely used in cement industry and mineral industry
- peak file parameters are not refined, i.e. the peak profiles are based on the physics, such as the the Xray tube, radii, all slits size. "The fundamental parameter approach in TOPAS also use convolution based peak shape and calculate instrumental peak broadening based on physical parameters like divergence slit size and goniometer radius etc. The actual fundamental parameter approach is published by the author of TOPAS: Dr. Coelho himself."
- background refinement is automated.
- There is no hard limit on the number of phases, parameters, and data points for refinement
- Both spherical harmonics and MD are implemented to handle preferred orientation
- Line broadening are modeled.
- Strongly disordered kaolinite and turbostratically disordered phases can be handled. Available in various versions.
- Mircoabsorption is corrected wit Brindley model since v1.
- "TOPAS has implemented both Internal standard method and External standard method, and PONKCS method for quantification of phases without structure model"
- Many other special features, such as defining rigid and non-rigid bodies, the rotation, translation and torsion of the whole or parts of them, bond length linked to atom occupancy.
On top of these advance features, convenience features are also there. For example, all the keywords are written in English and self explanatory; and running the refinement needs only two files ( the raw data, .raw file and the input, .inp file).
Because of these and many other possibilities TOPAS offers, the usage of TOPAS is much more wider. A search in the International Union of Crystallography themselves would show the current the number of citations. The following is an example, showing a high number of appearance. http://journals.iucr.org/
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