Author/Authors :
Ohhara، نويسنده , , Takashi and Kusaka، نويسنده , , Katsuhiro and Hosoya، نويسنده , , Takaaki and Kurihara، نويسنده , , Kazuo and Tomoyori، نويسنده , , Katsuaki and Niimura، نويسنده , , Nobuo and Tanaka، نويسنده , , Ichiro and Suzuki، نويسنده , , Jiro and Nakatani، نويسنده , , Takeshi and Otomo، نويسنده , , Toshiya and Matsuoka، نويسنده , , Syungo and Tomita، نويسنده , , Kenichi and Nishimaki، نويسنده , , Yu، نويسنده ,
Abstract :
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.
