Processing two-dimensional X-ray diffraction and small-angle scattering data in DAWN 2

被引：423

作者：

Filik, J. ^{[1
]}

Ashton, A. W. ^{[1
]}

Chang, P. C. Y. ^{[1
]}

Chater, P. A. ^{[1
]}

Day, S. J. ^{[1
]}

Drakopoulos, M. ^{[1
]}

Gerring, M. W. ^{[1
]}

Hart, M. L. ^{[1
]}

Magdysyuk, O. V. ^{[1
]}

Michalik, S. ^{[1
]}

Smith, A. ^{[1
]}

Tang, C. C. ^{[1
]}

Terrill, N. J. ^{[1
]}

Wharmby, M. T. ^{[1
]}

Wilhelm, H. ^{[1
]}

机构：

[1] Diamond Light Source Ltd, Harwell Sci & Innovat Campus, Didcot OX11 0DE, Oxon, England

来源：

JOURNAL OF APPLIED CRYSTALLOGRAPHY | 2017年 / 50卷

关键词：

X-ray diffraction; data processing; computer programs; POWDER DIFFRACTION; SYNCHROTRON;

D O I：

10.1107/S1600576717004708

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A software package for the calibration and processing of powder X-ray diffraction and small-angle X-ray scattering data is presented. It provides a multitude of data processing and visualization tools as well as a command-line scripting interface for on-the-fly processing and the incorporation of complex data treatment tasks. Customizable processing chains permit the execution of many data processing steps to convert a single image or a batch of raw two-dimensional data into meaningful data and one-dimensional diffractograms. The processed data files contain the full data provenance of each process applied to the data. The calibration routines can run automatically even for high energies and also for large detector tilt angles. Some of the functionalities are highlighted by specific use cases.

引用

页码：959 / 966

页数：8

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