Towards automated analysis of serial crystallography data at the European XFEL

O. Turkot, F. Dall'Antonia, Richard Bean, J. E, H. Fangohr, D. E. Ferreira de Lima, S. Kantamneni, H. Kirkwood, F. Koua, A. Mancuso, D. Melo, A. Round, Egor Sobolev, R. de Wijn, James J. Wrigley, L. Gelisio
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引用次数: 2

Abstract

In this paper we introduce and discuss the EXtra-Xwiz pipeline for the semi-automated analysis of serial femtosecond crystallography data collected at the European XFEL. EXtra-Xwiz wraps the CrystFEL software suite, exposes data in a CrystFEL-compliant format, handles the interaction with the local high-performance computing cluster and simplifies certain experiment schemes such as the pump-probe one. Alongside with the integration of EXtra-Xwiz into the European XFEL ecosystem, future plans and developments are also briefly discussed.
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在欧洲自由电子激光器实现连续晶体学数据的自动分析
本文介绍并讨论了EXtra-Xwiz管道,用于对欧洲自由电子激光器收集的连续飞秒晶体学数据进行半自动分析。EXtra-Xwiz封装了CrystFEL软件套件,以符合CrystFEL的格式公开数据,处理与本地高性能计算集群的交互,并简化了某些实验方案,如泵浦探测方案。除了将EXtra-Xwiz集成到欧洲XFEL生态系统之外,还简要讨论了未来的计划和发展。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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