Jérôme Kieffer, Martha Brennich, Jean Baptiste Florial, Marcus Oscarsson, Alejandro De Maria Antolinos, Mark Tully, Petra Pernot
{"title":"ESRF 的 BioSAXS 新数据分析。","authors":"Jérôme Kieffer, Martha Brennich, Jean Baptiste Florial, Marcus Oscarsson, Alejandro De Maria Antolinos, Mark Tully, Petra Pernot","doi":"10.1107/S1600577522007238","DOIUrl":null,"url":null,"abstract":"<p><p>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.</p>","PeriodicalId":17114,"journal":{"name":"Journal of Synchrotron Radiation","volume":"29 Pt 5","pages":"1318-1328"},"PeriodicalIF":2.4000,"publicationDate":"2022-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9455220/pdf/","citationCount":"0","resultStr":"{\"title\":\"New data analysis for BioSAXS at the ESRF.\",\"authors\":\"Jérôme Kieffer, Martha Brennich, Jean Baptiste Florial, Marcus Oscarsson, Alejandro De Maria Antolinos, Mark Tully, Petra Pernot\",\"doi\":\"10.1107/S1600577522007238\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>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.</p>\",\"PeriodicalId\":17114,\"journal\":{\"name\":\"Journal of Synchrotron Radiation\",\"volume\":\"29 Pt 5\",\"pages\":\"1318-1328\"},\"PeriodicalIF\":2.4000,\"publicationDate\":\"2022-09-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9455220/pdf/\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Synchrotron Radiation\",\"FirstCategoryId\":\"101\",\"ListUrlMain\":\"https://doi.org/10.1107/S1600577522007238\",\"RegionNum\":3,\"RegionCategory\":\"物理与天体物理\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"2022/8/23 0:00:00\",\"PubModel\":\"Epub\",\"JCR\":\"Q2\",\"JCRName\":\"INSTRUMENTS & INSTRUMENTATION\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Synchrotron Radiation","FirstCategoryId":"101","ListUrlMain":"https://doi.org/10.1107/S1600577522007238","RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2022/8/23 0:00:00","PubModel":"Epub","JCR":"Q2","JCRName":"INSTRUMENTS & INSTRUMENTATION","Score":null,"Total":0}
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.
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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