Facilities

Software

 

Data collection is only one part of materials characterisation. The second and equally important part is the analysis of the collected data in order extract valuable information. To aid the data analysis part we provide a variety of analytical software that can be used to quantify, derive and calculate important materials characteristics. The suite of software can also be used to simulate structures and information that is useful for experiment design and to compare with experimental results.

  • Topas is a powerful software used to analyse XRD data. It is capable of single line fitting, indexing, whole powder pattern decomposition, Ab-initio structure determination, Rietveld structure refinement, and quantitative Rietveld analysis.
  • JEMS is a dedicated software for simulation of diffraction patterns and HRTEM images. The simulated information is compared with data collected using the TEM in order to give valuable information about the internal structure of the material. It can also be used to simulate and prepare for a TEM experiment by aiding in finding the correct zone axis and proper instrument conditions required to collect the data.
  • Leptos is a software package for the evaluation of high resolution x-ray diffraction (HRXRD) data, such as reciprocal space mapping (RSM) of epitaxial films. It is also used to evaluate X-ray reflectometry (XRR) data, such as determination of film thickness and density. It is also used to evaluate grazing incidence small angle X-ray scattering (GISAXS) data to analyse surface structures of thin films. Residual stresses can also be evaluated using this software.
  • For viewing, modelling and simulation of crystal and molecular structures we have variety of dedicated software such as Carine, Atoms and Diamond.
  • For phase identification of XRD spectra we provide the latest ICDD database integrated with search-match software: Match. Crystallographic information (cif) from the ICSD database can also be retrieved using FindIt or through online access.