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Status of the neutron time-of-flight single-crystal diffraction data-processing software STARGazer

The STARGazer data-processing software is used for neutron time-of-flight (TOF) single-crystal diffraction data collected using the IBARAKI Biological Crystal Diffractometer (iBIX) at the Japan Proton Accelerator Research Complex (J-PARC). This software creates hkl intensity data from three-dimensio...

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Autores principales: Yano, Naomine, Yamada, Taro, Hosoya, Takaaki, Ohhara, Takashi, Tanaka, Ichiro, Niimura, Nobuo, Kusaka, Katsuhiro
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6213574/
https://www.ncbi.nlm.nih.gov/pubmed/30387763
http://dx.doi.org/10.1107/S2059798318012081
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author Yano, Naomine
Yamada, Taro
Hosoya, Takaaki
Ohhara, Takashi
Tanaka, Ichiro
Niimura, Nobuo
Kusaka, Katsuhiro
author_facet Yano, Naomine
Yamada, Taro
Hosoya, Takaaki
Ohhara, Takashi
Tanaka, Ichiro
Niimura, Nobuo
Kusaka, Katsuhiro
author_sort Yano, Naomine
collection PubMed
description The STARGazer data-processing software is used for neutron time-of-flight (TOF) single-crystal diffraction data collected using the IBARAKI Biological Crystal Diffractometer (iBIX) at the Japan Proton Accelerator Research Complex (J-PARC). This software creates hkl intensity data from three-dimensional (x, y, TOF) diffraction data. STARGazer is composed of a data-processing component and a data-visualization component. The former is used to calculate the hkl intensity data. The latter displays the three-dimensional diffraction data with searched or predicted peak positions and is used to determine and confirm integration regions. STARGazer has been developed to make it easier to use and to obtain more accurate intensity data. For example, a profile-fitting method for peak integration was developed and the data statistics were improved. STARGazer and its manual, containing installation and data-processing components, have been prepared and provided to iBIX users. This article describes the status of the STARGazer data-processing software and its data-processing algorithms.
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spelling pubmed-62135742018-11-15 Status of the neutron time-of-flight single-crystal diffraction data-processing software STARGazer Yano, Naomine Yamada, Taro Hosoya, Takaaki Ohhara, Takashi Tanaka, Ichiro Niimura, Nobuo Kusaka, Katsuhiro Acta Crystallogr D Struct Biol Research Papers The STARGazer data-processing software is used for neutron time-of-flight (TOF) single-crystal diffraction data collected using the IBARAKI Biological Crystal Diffractometer (iBIX) at the Japan Proton Accelerator Research Complex (J-PARC). This software creates hkl intensity data from three-dimensional (x, y, TOF) diffraction data. STARGazer is composed of a data-processing component and a data-visualization component. The former is used to calculate the hkl intensity data. The latter displays the three-dimensional diffraction data with searched or predicted peak positions and is used to determine and confirm integration regions. STARGazer has been developed to make it easier to use and to obtain more accurate intensity data. For example, a profile-fitting method for peak integration was developed and the data statistics were improved. STARGazer and its manual, containing installation and data-processing components, have been prepared and provided to iBIX users. This article describes the status of the STARGazer data-processing software and its data-processing algorithms. International Union of Crystallography 2018-10-29 /pmc/articles/PMC6213574/ /pubmed/30387763 http://dx.doi.org/10.1107/S2059798318012081 Text en © Yano et al. 2018 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 Research Papers
Yano, Naomine
Yamada, Taro
Hosoya, Takaaki
Ohhara, Takashi
Tanaka, Ichiro
Niimura, Nobuo
Kusaka, Katsuhiro
Status of the neutron time-of-flight single-crystal diffraction data-processing software STARGazer
title Status of the neutron time-of-flight single-crystal diffraction data-processing software STARGazer
title_full Status of the neutron time-of-flight single-crystal diffraction data-processing software STARGazer
title_fullStr Status of the neutron time-of-flight single-crystal diffraction data-processing software STARGazer
title_full_unstemmed Status of the neutron time-of-flight single-crystal diffraction data-processing software STARGazer
title_short Status of the neutron time-of-flight single-crystal diffraction data-processing software STARGazer
title_sort status of the neutron time-of-flight single-crystal diffraction data-processing software stargazer
topic Research Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6213574/
https://www.ncbi.nlm.nih.gov/pubmed/30387763
http://dx.doi.org/10.1107/S2059798318012081
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