Cargando…

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...

Descripción completa

Detalles Bibliográficos
Autores principales: Tran, Dung Trung, Svensson, Gunnar, Tai, Cheuk-Wai
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
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
_version_ 1782505232160260096
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