期刊
JOURNAL OF APPLIED CRYSTALLOGRAPHY
卷 36, 期 -, 页码 53-64出版社
INT UNION CRYSTALLOGRAPHY
DOI: 10.1107/S0021889802018708
关键词
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The introduction of neutron spallation-source instruments, such as the General Materials Diffractometer (GEM) at ISIS, allows measurement of pair distribution function (PDF) data at significantly higher rates than previously possible. As a result of the increased rate, a single experiment can produce over a hundred individual runs. Manual processing of all these data using traditional methods becomes inconvenient and inefficient. This article presents quality criteria that help produce automated direct Fourier transformed PDFs of quality similar to hand-processed data, and compares optimization methods.
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