Cargando…

New data analysis for BioSAXS at the ESRF

The second phase of the ESRF upgrade program did not only provide a new storage ring (Extremely Brilliant Source, EBS) but also allowed several beamlines to be refurbished. The BioSAXS beamline (located on port BM29) was upgraded with a new wiggler source and a larger detector. All analysis software...

Descripción completa

Detalles Bibliográficos
Autores principales: Kieffer, Jérôme, Brennich, Martha, Florial, Jean-Baptiste, Oscarsson, Marcus, De Maria Antolinos, Alejandro, Tully, Mark, Pernot, Petra
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9455220/
https://www.ncbi.nlm.nih.gov/pubmed/36073892
http://dx.doi.org/10.1107/S1600577522007238
_version_ 1784785534162305024
author Kieffer, Jérôme
Brennich, Martha
Florial, Jean-Baptiste
Oscarsson, Marcus
De Maria Antolinos, Alejandro
Tully, Mark
Pernot, Petra
author_facet Kieffer, Jérôme
Brennich, Martha
Florial, Jean-Baptiste
Oscarsson, Marcus
De Maria Antolinos, Alejandro
Tully, Mark
Pernot, Petra
author_sort Kieffer, Jérôme
collection PubMed
description The second phase of the ESRF upgrade program did not only provide a new storage ring (Extremely Brilliant Source, EBS) but also allowed several beamlines to be refurbished. The BioSAXS beamline (located on port BM29) was upgraded with a new wiggler source and a larger detector. All analysis software has been rewritten to cope with the increased data flux and continues to provide beamline users with reduced and pre-processed data in real time. This article describes FreeSAS, an open-source collection of various small-angle scattering analysis algorithms needed to reduce and analyze BioSAXS data, and Dahu, the tool used to interface data analysis with beamline control. It further presents the data-processing pipelines for the different data acquisitions modes of the beamline, using either a sample changer for individual homogeneous samples or an inline size-exclusion chromatography setup.
format Online
Article
Text
id pubmed-9455220
institution National Center for Biotechnology Information
language English
publishDate 2022
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-94552202022-10-03 New data analysis for BioSAXS at the ESRF Kieffer, Jérôme Brennich, Martha Florial, Jean-Baptiste Oscarsson, Marcus De Maria Antolinos, Alejandro Tully, Mark Pernot, Petra J Synchrotron Radiat Computer Programs The second phase of the ESRF upgrade program did not only provide a new storage ring (Extremely Brilliant Source, EBS) but also allowed several beamlines to be refurbished. The BioSAXS beamline (located on port BM29) was upgraded with a new wiggler source and a larger detector. All analysis software has been rewritten to cope with the increased data flux and continues to provide beamline users with reduced and pre-processed data in real time. This article describes FreeSAS, an open-source collection of various small-angle scattering analysis algorithms needed to reduce and analyze BioSAXS data, and Dahu, the tool used to interface data analysis with beamline control. It further presents the data-processing pipelines for the different data acquisitions modes of the beamline, using either a sample changer for individual homogeneous samples or an inline size-exclusion chromatography setup. International Union of Crystallography 2022-08-23 /pmc/articles/PMC9455220/ /pubmed/36073892 http://dx.doi.org/10.1107/S1600577522007238 Text en © Jérôme Kieffer et al. 2022 https://creativecommons.org/licenses/by/4.0/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.
spellingShingle Computer Programs
Kieffer, Jérôme
Brennich, Martha
Florial, Jean-Baptiste
Oscarsson, Marcus
De Maria Antolinos, Alejandro
Tully, Mark
Pernot, Petra
New data analysis for BioSAXS at the ESRF
title New data analysis for BioSAXS at the ESRF
title_full New data analysis for BioSAXS at the ESRF
title_fullStr New data analysis for BioSAXS at the ESRF
title_full_unstemmed New data analysis for BioSAXS at the ESRF
title_short New data analysis for BioSAXS at the ESRF
title_sort new data analysis for biosaxs at the esrf
topic Computer Programs
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9455220/
https://www.ncbi.nlm.nih.gov/pubmed/36073892
http://dx.doi.org/10.1107/S1600577522007238
work_keys_str_mv AT kiefferjerome newdataanalysisforbiosaxsattheesrf
AT brennichmartha newdataanalysisforbiosaxsattheesrf
AT florialjeanbaptiste newdataanalysisforbiosaxsattheesrf
AT oscarssonmarcus newdataanalysisforbiosaxsattheesrf
AT demariaantolinosalejandro newdataanalysisforbiosaxsattheesrf
AT tullymark newdataanalysisforbiosaxsattheesrf
AT pernotpetra newdataanalysisforbiosaxsattheesrf