Cargando…
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...
Autores principales: | , , , , , , , , , , , , , , |
---|---|
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 |
_version_ | 1783241796017455104 |
---|---|
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. |
format | Online Article Text |
id | pubmed-5458597 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT filikj processingtwodimensionalxraydiffractionandsmallanglescatteringdataindawn2 AT ashtonaw processingtwodimensionalxraydiffractionandsmallanglescatteringdataindawn2 AT changpcy processingtwodimensionalxraydiffractionandsmallanglescatteringdataindawn2 AT chaterpa processingtwodimensionalxraydiffractionandsmallanglescatteringdataindawn2 AT daysj processingtwodimensionalxraydiffractionandsmallanglescatteringdataindawn2 AT drakopoulosm processingtwodimensionalxraydiffractionandsmallanglescatteringdataindawn2 AT gerringmw processingtwodimensionalxraydiffractionandsmallanglescatteringdataindawn2 AT hartml processingtwodimensionalxraydiffractionandsmallanglescatteringdataindawn2 AT magdysyukov processingtwodimensionalxraydiffractionandsmallanglescatteringdataindawn2 AT michaliks processingtwodimensionalxraydiffractionandsmallanglescatteringdataindawn2 AT smitha processingtwodimensionalxraydiffractionandsmallanglescatteringdataindawn2 AT tangcc processingtwodimensionalxraydiffractionandsmallanglescatteringdataindawn2 AT terrillnj processingtwodimensionalxraydiffractionandsmallanglescatteringdataindawn2 AT wharmbymt processingtwodimensionalxraydiffractionandsmallanglescatteringdataindawn2 AT wilhelmh processingtwodimensionalxraydiffractionandsmallanglescatteringdataindawn2 |