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首页> 美国卫生研究院文献>Acta Crystallographica. Section D Structural Biology >Multi-position data collection and dynamic beam sizing: recent improvements to the automatic data-collection algorithms on MASSIF-1
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Multi-position data collection and dynamic beam sizing: recent improvements to the automatic data-collection algorithms on MASSIF-1

机译：多位置数据收集和动态波束大小调整：MASSIF-1上自动数据收集算法的最新改进

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摘要

Macromolecular crystallography is now a mature and widely used technique that is essential in the understanding of biology and medicine. Increases in computing power combined with robotics have not only enabled large numbers of samples to be screened and characterized but have also enabled better decisions to be taken on data collection itself. This led to the development of MASSIF-1 at the ESRF, the first beamline in the world to run fully automatically while making intelligent decisions taking user requirements into account. Since opening in late 2014, the beamline has processed over 42 000 samples. Improvements have been made to the speed of the sample-handling robotics and error management within the software routines. The workflows initially put into place, while highly innovative at the time, have been expanded to include increased complexity and additional intelligence using the information gathered during characterization; this includes adapting the beam diameter dynamically to match the diffraction volume within the crystal. Complex multi-position and multi-crystal data collections have now also been integrated into the selection of experiments available. This has led to increased data quality and throughput, allowing even the most challenging samples to be treated automatically.
机译：高分子晶体学现已成为一种成熟且广泛使用的技术，对理解生物学和医学必不可少。计算能力的提高与机器人技术的结合不仅使大量样本得以筛选和表征，而且使数据收集本身可以做出更好的决策。这导致了ESRF上MASSIF-1的开发，这是世界上第一条自动运行的光束线，同时在考虑用户需求的情况下做出明智的决策。自2014年底开业以来，光束​​线已处理了42 000多个样品。软件例程中的样品处理机器人和错误管理的速度已得到改进。最初建立的工作流程虽然当时具有很高的创新性，但已经扩展到包括增加的复杂性和使用表征过程中收集的信息带来的额外智能；这包括动态调整光束直径以匹配晶体内的衍射体积。现在，复杂的多位置和多晶体数据收集也已集成到可用的实验选择中。这提高了数据质量和吞吐量，甚至可以自动处理最具挑战性的样品。

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