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

• Published in: Nuclear instruments & methods in physics research. Section A, Accelerators, spectrometers, detectors and associated equipment Vol. 600; no. 1; pp. 195 - 197
• Main Authors: Ohhara, Takashi, Kusaka, Katsuhiro, Hosoya, Takaaki, Kurihara, Kazuo, Tomoyori, Katsuaki, Niimura, Nobuo, Tanaka, Ichiro, Suzuki, Jiro, Nakatani, Takeshi, Otomo, Toshiya, Matsuoka, Syungo, Tomita, Kenichi, Nishimaki, Yuichirou, Ajima, Takumi, Ryufuku, Susumu
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 21.02.2009
• Subjects: J-PARC; Software; TOF single crystal neutron diffraction; TOF single crystal neutron diffraction; Software; J-PARC
• ISSN: 0168-9002; 1872-9576
• DOI: 10.1016/j.nima.2008.11.030

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.