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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...
Autores principales: | , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2022
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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 |
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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
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title_full | Robust approaches for model-free small-angle scattering data analysis
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title_fullStr | Robust approaches for model-free small-angle scattering data analysis
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title_full_unstemmed | Robust approaches for model-free small-angle scattering data analysis
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title_short | Robust approaches for model-free small-angle scattering data analysis
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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 |
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