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Status of the neutron time‐of‐flight single‐crystal diffraction data‐processing software STARGazer
Author(s) -
Yano Naomine,
Yamada Taro,
Hosoya Takaaki,
Ohhara Takashi,
Tanaka Ichiro,
Niimura Nobuo,
Kusaka Katsuhiro
Publication year - 2018
Publication title -
acta crystallographica section d
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 7.374
H-Index - 138
ISSN - 2059-7983
DOI - 10.1107/s2059798318012081
Subject(s) - software , data processing , computer science , fuze , neutron diffraction , diffractometer , diffraction , physics , optics , materials science , database , scanning electron microscope , metallurgy , programming language
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.