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

Autor:	Nobuo Niimura, Naomine Yano, Takaaki Hosoya, Ichiro Tanaka, Katsuhiro Kusaka, Takashi Ohhara, Taro Yamada
Rok vydání:	2018
Předmět:	0301 basic medicine Diffraction Crystallography X-Ray 010402 general chemistry STARGazer 01 natural sciences law.invention neutron time-of-flight single-crystal diffraction data data-processing software Crystal 03 medical and health sciences Software Structural Biology law Neutron Diffractometer Neutrons Physics biology business.industry Particle accelerator biology.organism_classification Research Papers 0104 chemical sciences Computational physics Neutron Diffraction Time of flight 030104 developmental biology iBIX business Stargazer Algorithms
Zdroj:	Acta Crystallographica. Section D, Structural Biology
ISSN:	2059-7983
DOI:	10.1107/s2059798318012081
Popis:	In this article, the status of the STARGazer data-processing software and its data-processing algorithms are described in detail. The STARGazer data-processing software is used for neutron time-of-flight single-crystal diffraction data collected using the IBARAKI Biological Crystal Diffractometer. 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.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::48d771245f431dd1f17dd4e69112dfc4 https://doi.org/10.1107/s2059798318012081 Zobrazit plný text záznamu Plný text ve formátu PDF Plný text ve formátu HTML
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