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

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 co...

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Autores principales: Filik, J., Ashton, A. W., Chang, P. C. Y., Chater, P. A., Day, S. J., Drakopoulos, M., Gerring, M. W., Hart, M. L., Magdysyuk, O. V., Michalik, S., Smith, A., Tang, C. C., Terrill, N. J., Wharmby, M. T., Wilhelm, H.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5458597/
https://www.ncbi.nlm.nih.gov/pubmed/28656043
http://dx.doi.org/10.1107/S1600576717004708
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author Filik, J.
Ashton, A. W.
Chang, P. C. Y.
Chater, P. A.
Day, S. J.
Drakopoulos, M.
Gerring, M. W.
Hart, M. L.
Magdysyuk, O. V.
Michalik, S.
Smith, A.
Tang, C. C.
Terrill, N. J.
Wharmby, M. T.
Wilhelm, H.
author_facet Filik, J.
Ashton, A. W.
Chang, P. C. Y.
Chater, P. A.
Day, S. J.
Drakopoulos, M.
Gerring, M. W.
Hart, M. L.
Magdysyuk, O. V.
Michalik, S.
Smith, A.
Tang, C. C.
Terrill, N. J.
Wharmby, M. T.
Wilhelm, H.
author_sort Filik, J.
collection PubMed
description 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.
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spelling pubmed-54585972017-06-27 Processing two-dimensional X-ray diffraction and small-angle scattering data in DAWN 2 Filik, J. Ashton, A. W. Chang, P. C. Y. Chater, P. A. Day, S. J. Drakopoulos, M. Gerring, M. W. Hart, M. L. Magdysyuk, O. V. Michalik, S. Smith, A. Tang, C. C. Terrill, N. J. Wharmby, M. T. Wilhelm, H. J Appl Crystallogr Computer Programs 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. International Union of Crystallography 2017-05-08 /pmc/articles/PMC5458597/ /pubmed/28656043 http://dx.doi.org/10.1107/S1600576717004708 Text en © J. Filik et al. 2017 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/
spellingShingle Computer Programs
Filik, J.
Ashton, A. W.
Chang, P. C. Y.
Chater, P. A.
Day, S. J.
Drakopoulos, M.
Gerring, M. W.
Hart, M. L.
Magdysyuk, O. V.
Michalik, S.
Smith, A.
Tang, C. C.
Terrill, N. J.
Wharmby, M. T.
Wilhelm, H.
Processing two-dimensional X-ray diffraction and small-angle scattering data in DAWN 2
title Processing two-dimensional X-ray diffraction and small-angle scattering data in DAWN 2
title_full Processing two-dimensional X-ray diffraction and small-angle scattering data in DAWN 2
title_fullStr Processing two-dimensional X-ray diffraction and small-angle scattering data in DAWN 2
title_full_unstemmed Processing two-dimensional X-ray diffraction and small-angle scattering data in DAWN 2
title_short Processing two-dimensional X-ray diffraction and small-angle scattering data in DAWN 2
title_sort processing two-dimensional x-ray diffraction and small-angle scattering data in dawn 2
topic Computer Programs
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5458597/
https://www.ncbi.nlm.nih.gov/pubmed/28656043
http://dx.doi.org/10.1107/S1600576717004708
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