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

Authors :
Nobuo Niimura
Naomine Yano
Takaaki Hosoya
Ichiro Tanaka
Katsuhiro Kusaka
Takashi Ohhara
Taro Yamada
Source :
Acta Crystallographica. Section D, Structural Biology
Publication Year :
2018
Publisher :
International Union of Crystallography (IUCr), 2018.

Abstract

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.<br />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.

Details

ISSN :
20597983
Volume :
74
Database :
OpenAIRE
Journal :
Acta Crystallographica Section D Structural Biology
Accession number :
edsair.doi.dedup.....48d771245f431dd1f17dd4e69112dfc4
Full Text :
https://doi.org/10.1107/s2059798318012081