SASfit: a tool for small-angle scattering data analysis using a library of analytical expressions

SASfit is one of the mature programs for small‐angle scattering data analysis and has been available for many years. This article describes the basic data processing and analysis workflow along with recent developments in the SASfit program package (version 0.94.6). They include (i) advanced algorit...

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Bibliographic Details
Published in:Journal of applied crystallography 2015-10, Vol.48 (5), p.1587-1598
Main Authors: Breßler, Ingo, Kohlbrecher, Joachim, Thünemann, Andreas F.
Format: Article
Language:English
Subjects:
Computer Programs
Crystallography
curve fitting
Data analysis
Nanoparticles
nanotechnology
polymers
Scattering
small-angle neutron scattering
small-angle X-ray scattering
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Summary:SASfit is one of the mature programs for small‐angle scattering data analysis and has been available for many years. This article describes the basic data processing and analysis workflow along with recent developments in the SASfit program package (version 0.94.6). They include (i) advanced algorithms for reduction of oversampled data sets, (ii) improved confidence assessment in the optimized model parameters and (iii) a flexible plug‐in system for custom user‐provided models. A scattering function of a mass fractal model of branched polymers in solution is provided as an example for implementing a plug‐in. The new SASfit release is available for major platforms such as Windows, Linux and MacOS. To facilitate usage, it includes comprehensive indexed documentation as well as a web‐based wiki for peer collaboration and online videos demonstrating basic usage. The use of SASfit is illustrated by interpretation of the small‐angle X‐ray scattering curves of monomodal gold nanoparticles (NIST reference material 8011) and bimodal silica nanoparticles (EU reference material ERM‐FD‐102).
ISSN:1600-5767
0021-8898
1600-5767
DOI:10.1107/S1600576715016544