期刊
出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.nima.2008.11.030
关键词
Software; TOF single crystal neutron diffraction; J-PARC
类别
资金
- Visible Information Center Inc
- KCS Corp.
- A-tech Inc.
- J-PARC Center
- Ibaraki prefectural government
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. (c) 2008 Elsevier B.V. All rights reserved.
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