MassDiff: Development of post-processing tools for time-resolved data

Coordinating university or institute

Swerim AB (Swedish Research Institute for Mining, Metallurgy and Materials),



Project description

The project started with Vinnova funding based on industrial needs to analyze existing time-resolved diffraction experiments and continued with internal resources from Swerim.

Within the project, a program tool was developed for visualization and fitting of diffraction peaks. The tool can be used to convert data type, visualize, and inspect many data sets and perform quantitative analysis after performing peak fitting operations. The program enables single and multi-peak fitting using the internal engine, and LeBail/Pawly/Rietveld analysis by using Topas or Topas-Academic (and currently being developed for MAUD). The standalone version of the program is user-friendly and does not require any programming skills. For experienced users who need new functionalities or modification, the source code is also available.

The program tool has continued to be developed and tested within several diffraction projects e.g. Vinnova-funded projects for data collected at different photon and neutron facilities as well as laboratory-based diffraction data.




  • Shirin Nouhi, Ph.D., Researcher, Swerim, Stainless steels & non-ferrous metals
  • Tuerdi Maimaitiyili, Ph.D., Researcher, Swerim, Stainless steels & non-ferrous metals
  • Johannes Brask, M.Sc., Researcher, Swerim, Stainless steels & non-ferrous metals
  • David Lindell, Ph.D., Group manager, Swerim, Stainless steels & non-ferrous metals

Core deliverables

  • Simple and user-friendly software package to visualize high number of diffraction data.
  • Simple analysis using single/multiple peak fitting for residual stress and phase analysis.
  • A simple interface to prepare and run more complex and comprehensive analysis of diffraction data e.g. Rietveld analysis.

Industry involvement

  • Outokumpu, Alfa Laval

Total budget

EUR 200,000


Data from P07 high energy material science beamline at PETRA III have been used.


210602 Bild2 210525 Massdiff Bild1
Phase quantity extracted from >25000 diffraction patterns after Rietveld analysis (above). Screenshot from the developed toolbox: raw data visualisation window (below).

Procurement codes

Information technology
Mechanical Engineering and raw materials

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