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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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Detalles Bibliográficos
Autores principales: Breßler, Ingo, Kohlbrecher, Joachim, Thünemann, Andreas F.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4603274/
https://www.ncbi.nlm.nih.gov/pubmed/26500467
http://dx.doi.org/10.1107/S1600576715016544
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author Breßler, Ingo
Kohlbrecher, Joachim
Thünemann, Andreas F.
author_facet Breßler, Ingo
Kohlbrecher, Joachim
Thünemann, Andreas F.
author_sort Breßler, Ingo
collection PubMed
description 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).
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spelling pubmed-46032742015-10-25 SASfit: a tool for small-angle scattering data analysis using a library of analytical expressions Breßler, Ingo Kohlbrecher, Joachim Thünemann, Andreas F. J Appl Crystallogr Computer Programs 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). International Union of Crystallography 2015-09-20 /pmc/articles/PMC4603274/ /pubmed/26500467 http://dx.doi.org/10.1107/S1600576715016544 Text en © Ingo Breßler et al. 2015 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Computer Programs
Breßler, Ingo
Kohlbrecher, Joachim
Thünemann, Andreas F.
SASfit: a tool for small-angle scattering data analysis using a library of analytical expressions
title SASfit: a tool for small-angle scattering data analysis using a library of analytical expressions
title_full SASfit: a tool for small-angle scattering data analysis using a library of analytical expressions
title_fullStr SASfit: a tool for small-angle scattering data analysis using a library of analytical expressions
title_full_unstemmed SASfit: a tool for small-angle scattering data analysis using a library of analytical expressions
title_short SASfit: a tool for small-angle scattering data analysis using a library of analytical expressions
title_sort sasfit: a tool for small-angle scattering data analysis using a library of analytical expressions
topic Computer Programs
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4603274/
https://www.ncbi.nlm.nih.gov/pubmed/26500467
http://dx.doi.org/10.1107/S1600576715016544
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