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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...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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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. |
format | Online Article Text |
id | pubmed-4038800 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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