Contact Us

Diffraction and Rietveld Services

X-Ray diffraction (XRD)

X-Ray diffraction data collection of powder or solid samples. Solid samples require a flat surface and are restricted in size.

Rietveld Refinement

A SRM data-set is used to determine the instrument contribution for a diffractometer. This allows for the modelling of quantitative phase composition, lattice parameters, and crystallite size for a given sample. The modeled phases are based on Search-Match results against structure databases.


Refinement of atomic positions or site occupancies falls outside the standard service offered and may require additional details on the samples.

Auto-Inp - Rietveld Refinement automation

Auto-Inp is automation software for Rietveld refinement. It is optimised for a single well-known sample type per installation. This allows high quality phase determination and structure refinement of data files in a batch mode.


Requirements: Bruker's TOPAS is currently used as the refinement engine. This has been tested on TOPAS 5 and 7.