New data analysis for BioSAXS at the ESRF.

IF 2.4 3区 物理与天体物理 Q2 INSTRUMENTS & INSTRUMENTATION Journal of Synchrotron Radiation Pub Date : 2022-09-01 Epub Date: 2022-08-23 DOI:10.1107/S1600577522007238
Jérôme Kieffer, Martha Brennich, Jean Baptiste Florial, Marcus Oscarsson, Alejandro De Maria Antolinos, Mark Tully, Petra Pernot
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Abstract

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.

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ESRF 的 BioSAXS 新数据分析。
ESRF 升级计划的第二阶段不仅提供了一个新的存储环(极亮源,EBS),还对几条光束线进行了翻新。BioSAXS 光束线(位于 BM29 端口)进行了升级,配备了一个新的摇摆源和一个更大的探测器。所有分析软件都已重写,以应对增加的数据通量,并继续实时为光束线用户提供经过缩减和预处理的数据。本文介绍了FreeSAS和Dahu(用于将数据分析与光束线控制连接起来的工具),FreeSAS是各种小角散射分析算法的开源集合,可用于还原和分析BioSAXS数据。它进一步介绍了光束线不同数据采集模式的数据处理管道,这些模式可以使用样品更换器采集单个均质样品,也可以使用在线尺寸排阻色谱设置。
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来源期刊
CiteScore
5.10
自引率
12.00%
发文量
289
审稿时长
4-8 weeks
期刊介绍: Synchrotron radiation research is rapidly expanding with many new sources of radiation being created globally. Synchrotron radiation plays a leading role in pure science and in emerging technologies. The Journal of Synchrotron Radiation provides comprehensive coverage of the entire field of synchrotron radiation and free-electron laser research including instrumentation, theory, computing and scientific applications in areas such as biology, nanoscience and materials science. Rapid publication ensures an up-to-date information resource for scientists and engineers in the field.
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