Development of data processing software for a new TOF single crystal neutron diffractometer at J-PARC

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• 作者：Takashi Ohhara ; Katsuhiro Kusaka ; Takaaki Hosoya ; Kazuo Kurihara ; Katsuaki Tomoyori ; Nobuo Niimura ; Ichiro Tanaka ; Jiro Suzuki ; Takeshi Nakatani ; Toshiya Otomo ; Syungo Matsuoka ; Kenichi Tomita ; Yuichi
• 关键词：Software ; TOF single crystal neutron diffraction ; J-PARC
• 刊名：Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment
• 出版年：2009
• 出版时间：21 February 2009
• 年：2009
• 卷：600
• 期：1
• 页码：195-197
• 全文大小：481 K

文摘

We have developed new data processing software for a new time-of-flight (TOF) single crystal neutron diffractometer at the Materials and Life-science Facility (MLF) of the Japan Proton Accelerator Research Complex (J-PARC); IBARAKI Biomolecular Crystal Diffractometer (iBIX). This software, named “STARGazer”, makes a HKLF list from three-dimensional (x, y, TOF) raw data of the iBIX. The STARGazer has both a data processing part and a data visualization part. The former part is a main part to make a HKLF list. This part has fundamental data processing functions and additional functions, real-space indexing, refinement of detector positions simultaneously with an UB matrix, and finding overlapping Bragg reflections, to process diffraction data of bio-macromolecular crystal which has large unit cell volumes. The latter part displays the three-dimensional raw data with predicted positions of Bragg reflections to confirm how well an obtained UB matrix fits to the raw data. In the near future, a function to process overlapping Bragg reflections based on a profile fitting technique will be added to the STARGazer.