Software for small angle scattering analysis: SASfit and McSAS - specialized solutions for particular problems

For analysis of small angle scattering patterns the classical toolbox approach assumes scatterer models and predefined parameter distributions for possibly polydisperse systems or mixtures.

SASfit[1] is one such toolbox matured for many years and freely available ever since its first stages of development. It is well suited for the analysis of more complex systems by incorporating additional a priori knowledge to improve the stability of a solution. But in cases of simpler systems where especially the sizes or another parameter distribution sought-after cannot be known in advance, a form-free approach is needed.

In recent years the McSAS[2]  program was developed which uses a Monte-Carlo algorithm for determining a free-form parameter distribution to address such kind of problems.

While one program is better suited for more sophisticated systems to analyse, the other one is geared towards form-free results and less a priori knowledge. Both programs assist the researcher in extracting meaningful results from scattering patterns of a reciprocal domain.

Representative Publications

1. Ingo Breßler, Joachim Kohlbrecher and Andreas F. Thünemann
"SASfit: a tool for small-angle scattering data analysis using a library of analytical expressions", Journal of Applied Crystallography, 2015, 48 (5), 1587-1598,
doi:10.1107/S1600576715016544 (open access)

2. Ingo Bressler, Brian R. Pauw and Andreas F. Thünemann
"McSAS: software for the retrieval of model parameter distributions from scattering patterns",
Journal of Applied Crystallography, 2015, 48 (3), 962-969,
doi:10.1107/S1600576715007347 (open access)