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SUePDF: a program to obtain quantitative pair distribution functions from electron diffraction data
SUePDF is a graphical user interface program written in MATLAB to achieve quantitative pair distribution functions (PDFs) from electron diffraction data. The program facilitates structural studies of amorphous materials and small nanoparticles using electron diffraction data from transmission electr...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2017
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5294395/ https://www.ncbi.nlm.nih.gov/pubmed/28190994 http://dx.doi.org/10.1107/S160057671601863X |
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author | Tran, Dung Trung Svensson, Gunnar Tai, Cheuk-Wai |
author_facet | Tran, Dung Trung Svensson, Gunnar Tai, Cheuk-Wai |
author_sort | Tran, Dung Trung |
collection | PubMed |
description | SUePDF is a graphical user interface program written in MATLAB to achieve quantitative pair distribution functions (PDFs) from electron diffraction data. The program facilitates structural studies of amorphous materials and small nanoparticles using electron diffraction data from transmission electron microscopes. It is based on the physics of electron scattering as well as the total scattering methodology. A method of background modeling is introduced to treat the intensity tail of the direct beam, inelastic scattering and incoherent multiple scattering. Kinematical electron scattering intensity is scaled using the electron scattering factors. The PDFs obtained after Fourier transforms are normalized with respect to number density, nanoparticle form factor and the non-negativity of probability density. SUePDF is distributed as free software for academic users. |
format | Online Article Text |
id | pubmed-5294395 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-52943952017-02-10 SUePDF: a program to obtain quantitative pair distribution functions from electron diffraction data Tran, Dung Trung Svensson, Gunnar Tai, Cheuk-Wai J Appl Crystallogr Computer Programs SUePDF is a graphical user interface program written in MATLAB to achieve quantitative pair distribution functions (PDFs) from electron diffraction data. The program facilitates structural studies of amorphous materials and small nanoparticles using electron diffraction data from transmission electron microscopes. It is based on the physics of electron scattering as well as the total scattering methodology. A method of background modeling is introduced to treat the intensity tail of the direct beam, inelastic scattering and incoherent multiple scattering. Kinematical electron scattering intensity is scaled using the electron scattering factors. The PDFs obtained after Fourier transforms are normalized with respect to number density, nanoparticle form factor and the non-negativity of probability density. SUePDF is distributed as free software for academic users. International Union of Crystallography 2017-02-01 /pmc/articles/PMC5294395/ /pubmed/28190994 http://dx.doi.org/10.1107/S160057671601863X Text en © Tran, Svensson and Tai 2017 http://creativecommons.org/licenses/by/2.0/uk/ 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.http://creativecommons.org/licenses/by/2.0/uk/ |
spellingShingle | Computer Programs Tran, Dung Trung Svensson, Gunnar Tai, Cheuk-Wai SUePDF: a program to obtain quantitative pair distribution functions from electron diffraction data |
title |
SUePDF: a program to obtain quantitative pair distribution functions from electron diffraction data |
title_full |
SUePDF: a program to obtain quantitative pair distribution functions from electron diffraction data |
title_fullStr |
SUePDF: a program to obtain quantitative pair distribution functions from electron diffraction data |
title_full_unstemmed |
SUePDF: a program to obtain quantitative pair distribution functions from electron diffraction data |
title_short |
SUePDF: a program to obtain quantitative pair distribution functions from electron diffraction data |
title_sort | suepdf: a program to obtain quantitative pair distribution functions from electron diffraction data |
topic | Computer Programs |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5294395/ https://www.ncbi.nlm.nih.gov/pubmed/28190994 http://dx.doi.org/10.1107/S160057671601863X |
work_keys_str_mv | AT trandungtrung suepdfaprogramtoobtainquantitativepairdistributionfunctionsfromelectrondiffractiondata AT svenssongunnar suepdfaprogramtoobtainquantitativepairdistributionfunctionsfromelectrondiffractiondata AT taicheukwai suepdfaprogramtoobtainquantitativepairdistributionfunctionsfromelectrondiffractiondata |