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Profex: a graphical user interface for the Rietveld refinement program BGMN

Profex is a graphical user interface for the Rietveld refinement program BGMN. Its interface focuses on preserving BGMN’s powerful and flexible scripting features by giving direct access to BGMN input files. Very efficient workflows for single or batch refinements are achieved by managing refinement...

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Detalles Bibliográficos
Autores principales: Doebelin, Nicola, Kleeberg, Reinhard
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4603273/
https://www.ncbi.nlm.nih.gov/pubmed/26500466
http://dx.doi.org/10.1107/S1600576715014685
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author Doebelin, Nicola
Kleeberg, Reinhard
author_facet Doebelin, Nicola
Kleeberg, Reinhard
author_sort Doebelin, Nicola
collection PubMed
description Profex is a graphical user interface for the Rietveld refinement program BGMN. Its interface focuses on preserving BGMN’s powerful and flexible scripting features by giving direct access to BGMN input files. Very efficient workflows for single or batch refinements are achieved by managing refinement control files and structure files, by providing dialogues and shortcuts for many operations, by performing operations in the background, and by providing import filters for CIF and XML crystal structure files. Refinement results can be easily exported for further processing. State-of-the-art graphical export of diffraction patterns to pixel and vector graphics formats allows the creation of publication-quality graphs with minimum effort. Profex reads and converts a variety of proprietary raw data formats and is thus largely instrument independent. Profex and BGMN are available under an open-source license for Windows, Linux and OS X operating systems.
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spelling pubmed-46032732015-10-25 Profex: a graphical user interface for the Rietveld refinement program BGMN Doebelin, Nicola Kleeberg, Reinhard J Appl Crystallogr Computer Programs Profex is a graphical user interface for the Rietveld refinement program BGMN. Its interface focuses on preserving BGMN’s powerful and flexible scripting features by giving direct access to BGMN input files. Very efficient workflows for single or batch refinements are achieved by managing refinement control files and structure files, by providing dialogues and shortcuts for many operations, by performing operations in the background, and by providing import filters for CIF and XML crystal structure files. Refinement results can be easily exported for further processing. State-of-the-art graphical export of diffraction patterns to pixel and vector graphics formats allows the creation of publication-quality graphs with minimum effort. Profex reads and converts a variety of proprietary raw data formats and is thus largely instrument independent. Profex and BGMN are available under an open-source license for Windows, Linux and OS X operating systems. International Union of Crystallography 2015-08-29 /pmc/articles/PMC4603273/ /pubmed/26500466 http://dx.doi.org/10.1107/S1600576715014685 Text en © Doebelin and Kleeberg 2015 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Computer Programs
Doebelin, Nicola
Kleeberg, Reinhard
Profex: a graphical user interface for the Rietveld refinement program BGMN
title Profex: a graphical user interface for the Rietveld refinement program BGMN
title_full Profex: a graphical user interface for the Rietveld refinement program BGMN
title_fullStr Profex: a graphical user interface for the Rietveld refinement program BGMN
title_full_unstemmed Profex: a graphical user interface for the Rietveld refinement program BGMN
title_short Profex: a graphical user interface for the Rietveld refinement program BGMN
title_sort profex: a graphical user interface for the rietveld refinement program bgmn
topic Computer Programs
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4603273/
https://www.ncbi.nlm.nih.gov/pubmed/26500466
http://dx.doi.org/10.1107/S1600576715014685
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