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ESRF 上生物小角 X 射线散射的新数据分析。

New data analysis for BioSAXS at the ESRF.

机构信息

ESRF - The European Synchrotron, 71 Avenue des Martyrs, 38000 Grenoble, France.

European Molecular Biology Laboratory, 71 Avenue des Martyrs, 38000 Grenoble, France.

出版信息

J Synchrotron Radiat. 2022 Sep 1;29(Pt 5):1318-1328. doi: 10.1107/S1600577522007238. Epub 2022 Aug 23.

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.

摘要

ESRF 升级计划的第二阶段不仅提供了一个新的储存环(极端明亮光源,EBS),还允许几条光束线进行翻新。生物小角 X 射线散射(BioSAXS)光束线(位于 BM29 端口)配备了一个新的扭摆器源和一个更大的探测器进行了升级。所有的分析软件都已重写,以应对增加的数据流量,并继续为光束线用户实时提供减少和预处理的数据。本文介绍了 FreeSAS,这是一个开源的各种小角散射分析算法的集合,用于减少和分析 BioSAXS 数据,以及 Dahu,这是一个用于将数据分析与光束线控制接口的工具。它进一步展示了光束线不同数据采集模式的数据处理管道,使用样品更换器对单个均质样品或在线尺寸排阻色谱装置进行操作。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4996/9455220/c0656afd10c9/s-29-01318-fig1.jpg

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