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Cheetah: software for high-throughput reduction and analysis of serial femtosecond X-ray diffraction data

The emerging technique of serial X-ray diffraction, in which diffraction data are collected from samples flowing across a pulsed X-ray source at repetition rates of 100 Hz or higher, has necessitated the development of new software in order to handle the large data volumes produced. Sorting of data...

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Detalles Bibliográficos
Autores principales: Barty, Anton, Kirian, Richard A., Maia, Filipe R. N. C., Hantke, Max, Yoon, Chun Hong, White, Thomas A., Chapman, Henry
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4038800/
https://www.ncbi.nlm.nih.gov/pubmed/24904246
http://dx.doi.org/10.1107/S1600576714007626
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author Barty, Anton
Kirian, Richard A.
Maia, Filipe R. N. C.
Hantke, Max
Yoon, Chun Hong
White, Thomas A.
Chapman, Henry
author_facet Barty, Anton
Kirian, Richard A.
Maia, Filipe R. N. C.
Hantke, Max
Yoon, Chun Hong
White, Thomas A.
Chapman, Henry
author_sort Barty, Anton
collection PubMed
description The emerging technique of serial X-ray diffraction, in which diffraction data are collected from samples flowing across a pulsed X-ray source at repetition rates of 100 Hz or higher, has necessitated the development of new software in order to handle the large data volumes produced. Sorting of data according to different criteria and rapid filtering of events to retain only diffraction patterns of interest results in significant reductions in data volume, thereby simplifying subsequent data analysis and management tasks. Meanwhile the generation of reduced data in the form of virtual powder patterns, radial stacks, histograms and other meta data creates data set summaries for analysis and overall experiment evaluation. Rapid data reduction early in the analysis pipeline is proving to be an essential first step in serial imaging experiments, prompting the authors to make the tool described in this article available to the general community. Originally developed for experiments at X-ray free-electron lasers, the software is based on a modular facility-independent library to promote portability between different experiments and is available under version 3 or later of the GNU General Public License.
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spelling pubmed-40388002014-06-05 Cheetah: software for high-throughput reduction and analysis of serial femtosecond X-ray diffraction data Barty, Anton Kirian, Richard A. Maia, Filipe R. N. C. Hantke, Max Yoon, Chun Hong White, Thomas A. Chapman, Henry J Appl Crystallogr Research Papers The emerging technique of serial X-ray diffraction, in which diffraction data are collected from samples flowing across a pulsed X-ray source at repetition rates of 100 Hz or higher, has necessitated the development of new software in order to handle the large data volumes produced. Sorting of data according to different criteria and rapid filtering of events to retain only diffraction patterns of interest results in significant reductions in data volume, thereby simplifying subsequent data analysis and management tasks. Meanwhile the generation of reduced data in the form of virtual powder patterns, radial stacks, histograms and other meta data creates data set summaries for analysis and overall experiment evaluation. Rapid data reduction early in the analysis pipeline is proving to be an essential first step in serial imaging experiments, prompting the authors to make the tool described in this article available to the general community. Originally developed for experiments at X-ray free-electron lasers, the software is based on a modular facility-independent library to promote portability between different experiments and is available under version 3 or later of the GNU General Public License. International Union of Crystallography 2014-05-29 /pmc/articles/PMC4038800/ /pubmed/24904246 http://dx.doi.org/10.1107/S1600576714007626 Text en © Anton Barty et al. 2014 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Research Papers
Barty, Anton
Kirian, Richard A.
Maia, Filipe R. N. C.
Hantke, Max
Yoon, Chun Hong
White, Thomas A.
Chapman, Henry
Cheetah: software for high-throughput reduction and analysis of serial femtosecond X-ray diffraction data
title Cheetah: software for high-throughput reduction and analysis of serial femtosecond X-ray diffraction data
title_full Cheetah: software for high-throughput reduction and analysis of serial femtosecond X-ray diffraction data
title_fullStr Cheetah: software for high-throughput reduction and analysis of serial femtosecond X-ray diffraction data
title_full_unstemmed Cheetah: software for high-throughput reduction and analysis of serial femtosecond X-ray diffraction data
title_short Cheetah: software for high-throughput reduction and analysis of serial femtosecond X-ray diffraction data
title_sort cheetah: software for high-throughput reduction and analysis of serial femtosecond x-ray diffraction data
topic Research Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4038800/
https://www.ncbi.nlm.nih.gov/pubmed/24904246
http://dx.doi.org/10.1107/S1600576714007626
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