Sas-temper: Software for fitting small-angle scattering data that provides automated reproducibility characterization

The analysis of small-angle X-ray and neutron scattering data is both time-consuming and fraught with the challenges intrinsic to non-linear least squares minimization processes. These difficulties are compounded by the relatively limited information content of the data. The software sas-temper addr...

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Autores principales:	William T. Heller, Mathieu Doucet, Richard K. Archibald
Formato:	article
Lenguaje:	EN
Publicado:	Elsevier 2021
Materias:	Small-angle scattering Reproducibility characterization Simulated annealing Computer software QA76.75-76.765
Acceso en línea:	https://doaj.org/article/226fc0d9dc464f2b834f4ae8ccb49ace
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spelling	oai:doaj.org-article:226fc0d9dc464f2b834f4ae8ccb49ace2021-11-26T04:34:50ZSas-temper: Software for fitting small-angle scattering data that provides automated reproducibility characterization2352-711010.1016/j.softx.2021.100849https://doaj.org/article/226fc0d9dc464f2b834f4ae8ccb49ace2021-12-01T00:00:00Zhttp://www.sciencedirect.com/science/article/pii/S235271102100128Xhttps://doaj.org/toc/2352-7110The analysis of small-angle X-ray and neutron scattering data is both time-consuming and fraught with the challenges intrinsic to non-linear least squares minimization processes. These difficulties are compounded by the relatively limited information content of the data. The software sas-temper addresses the first two issues by automating the process of repeated, independent fits to a single data set and by automatically analyzing the set of results generated. The output of sas-temper enables the user to easily decide if additional data fitting is required. The plots and the analysis of the set of results also simplify refinement of the parameter search space.William T. HellerMathieu DoucetRichard K. ArchibaldElsevierarticleSmall-angle scatteringReproducibility characterizationSimulated annealingComputer softwareQA76.75-76.765ENSoftwareX, Vol 16, Iss , Pp 100849- (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Small-angle scattering Reproducibility characterization Simulated annealing Computer software QA76.75-76.765
spellingShingle	Small-angle scattering Reproducibility characterization Simulated annealing Computer software QA76.75-76.765 William T. Heller Mathieu Doucet Richard K. Archibald Sas-temper: Software for fitting small-angle scattering data that provides automated reproducibility characterization
description	The analysis of small-angle X-ray and neutron scattering data is both time-consuming and fraught with the challenges intrinsic to non-linear least squares minimization processes. These difficulties are compounded by the relatively limited information content of the data. The software sas-temper addresses the first two issues by automating the process of repeated, independent fits to a single data set and by automatically analyzing the set of results generated. The output of sas-temper enables the user to easily decide if additional data fitting is required. The plots and the analysis of the set of results also simplify refinement of the parameter search space.
format	article
author	William T. Heller Mathieu Doucet Richard K. Archibald
author_facet	William T. Heller Mathieu Doucet Richard K. Archibald
author_sort	William T. Heller
title	Sas-temper: Software for fitting small-angle scattering data that provides automated reproducibility characterization
title_short	Sas-temper: Software for fitting small-angle scattering data that provides automated reproducibility characterization
title_full	Sas-temper: Software for fitting small-angle scattering data that provides automated reproducibility characterization
title_fullStr	Sas-temper: Software for fitting small-angle scattering data that provides automated reproducibility characterization
title_full_unstemmed	Sas-temper: Software for fitting small-angle scattering data that provides automated reproducibility characterization
title_sort	sas-temper: software for fitting small-angle scattering data that provides automated reproducibility characterization
publisher	Elsevier
publishDate	2021
url	https://doaj.org/article/226fc0d9dc464f2b834f4ae8ccb49ace
work_keys_str_mv	AT williamtheller sastempersoftwareforfittingsmallanglescatteringdatathatprovidesautomatedreproducibilitycharacterization AT mathieudoucet sastempersoftwareforfittingsmallanglescatteringdatathatprovidesautomatedreproducibilitycharacterization AT richardkarchibald sastempersoftwareforfittingsmallanglescatteringdatathatprovidesautomatedreproducibilitycharacterization
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Sas-temper: Software for fitting small-angle scattering data that provides automated reproducibility characterization

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