Cargando…

Robust approaches for model-free small-angle scattering data analysis

The small-angle neutron scattering data of nanostructured magnetic samples contain information regarding their chemical and magnetic properties. Often, the first step to access characteristic magnetic and structural length scales is a model-free investigation. However, due to measurement uncertainti...

Descripción completa

Detalles Bibliográficos
Autores principales: Bender, Philipp, Honecker, Dirk, Bersweiler, Mathias, Costo, Rocio, Kahmann, Tamara, Ludwig, Frank, Leiner, Jon, Jochum, Johanna K.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9172030/
https://www.ncbi.nlm.nih.gov/pubmed/35719307
http://dx.doi.org/10.1107/S1600576722004356
_version_ 1784721800612020224
author Bender, Philipp
Honecker, Dirk
Bersweiler, Mathias
Costo, Rocio
Kahmann, Tamara
Ludwig, Frank
Leiner, Jon
Jochum, Johanna K.
author_facet Bender, Philipp
Honecker, Dirk
Bersweiler, Mathias
Costo, Rocio
Kahmann, Tamara
Ludwig, Frank
Leiner, Jon
Jochum, Johanna K.
author_sort Bender, Philipp
collection PubMed
description The small-angle neutron scattering data of nanostructured magnetic samples contain information regarding their chemical and magnetic properties. Often, the first step to access characteristic magnetic and structural length scales is a model-free investigation. However, due to measurement uncertainties and a restricted q range, a direct Fourier transform usually fails and results in ambiguous distributions. To circumvent these problems, different methods have been introduced to derive regularized, more stable correlation functions, with the indirect Fourier transform being the most prominent approach. Here, the indirect Fourier transform is compared with the singular value decomposition and an iterative algorithm. These approaches are used to determine the correlation function from magnetic small-angle neutron scattering data of a powder sample of iron oxide nanoparticles; it is shown that with all three methods, in principle, the same correlation function can be derived. Each method has certain advantages and disadvantages, and thus the recommendation is to combine these three approaches to obtain robust results.
format Online
Article
Text
id pubmed-9172030
institution National Center for Biotechnology Information
language English
publishDate 2022
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-91720302022-06-17 Robust approaches for model-free small-angle scattering data analysis Bender, Philipp Honecker, Dirk Bersweiler, Mathias Costo, Rocio Kahmann, Tamara Ludwig, Frank Leiner, Jon Jochum, Johanna K. J Appl Crystallogr Research Papers The small-angle neutron scattering data of nanostructured magnetic samples contain information regarding their chemical and magnetic properties. Often, the first step to access characteristic magnetic and structural length scales is a model-free investigation. However, due to measurement uncertainties and a restricted q range, a direct Fourier transform usually fails and results in ambiguous distributions. To circumvent these problems, different methods have been introduced to derive regularized, more stable correlation functions, with the indirect Fourier transform being the most prominent approach. Here, the indirect Fourier transform is compared with the singular value decomposition and an iterative algorithm. These approaches are used to determine the correlation function from magnetic small-angle neutron scattering data of a powder sample of iron oxide nanoparticles; it is shown that with all three methods, in principle, the same correlation function can be derived. Each method has certain advantages and disadvantages, and thus the recommendation is to combine these three approaches to obtain robust results. International Union of Crystallography 2022-05-28 /pmc/articles/PMC9172030/ /pubmed/35719307 http://dx.doi.org/10.1107/S1600576722004356 Text en © Philipp Bender et al. 2022 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Research Papers
Bender, Philipp
Honecker, Dirk
Bersweiler, Mathias
Costo, Rocio
Kahmann, Tamara
Ludwig, Frank
Leiner, Jon
Jochum, Johanna K.
Robust approaches for model-free small-angle scattering data analysis
title Robust approaches for model-free small-angle scattering data analysis
title_full Robust approaches for model-free small-angle scattering data analysis
title_fullStr Robust approaches for model-free small-angle scattering data analysis
title_full_unstemmed Robust approaches for model-free small-angle scattering data analysis
title_short Robust approaches for model-free small-angle scattering data analysis
title_sort robust approaches for model-free small-angle scattering data analysis
topic Research Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9172030/
https://www.ncbi.nlm.nih.gov/pubmed/35719307
http://dx.doi.org/10.1107/S1600576722004356
work_keys_str_mv AT benderphilipp robustapproachesformodelfreesmallanglescatteringdataanalysis
AT honeckerdirk robustapproachesformodelfreesmallanglescatteringdataanalysis
AT bersweilermathias robustapproachesformodelfreesmallanglescatteringdataanalysis
AT costorocio robustapproachesformodelfreesmallanglescatteringdataanalysis
AT kahmanntamara robustapproachesformodelfreesmallanglescatteringdataanalysis
AT ludwigfrank robustapproachesformodelfreesmallanglescatteringdataanalysis
AT leinerjon robustapproachesformodelfreesmallanglescatteringdataanalysis
AT jochumjohannak robustapproachesformodelfreesmallanglescatteringdataanalysis