用信号分离技术实时分析高帧率晶体衍射图像,提升数据压缩与峰值识别效率。
Application of signal separation to diffraction image compression and serial crystallography
- 基于方位角空间的信号分离算法,区分单晶与无定形衍射信号。
- 实现925 Hz下实时处理,压缩后数据在XDS和CrystFEL中保持高质量。
- 适用于高速序列晶体学,适合需要高效数据处理的结构生物学研究者。
本文介绍在高帧率(925 Hz)下对衍射图像进行实时分析及其在大分子序列晶体学中的应用。软件采用一种新的信号分离算法,能够将来自单个晶体的衍射信号与非晶态(或粉末衍射)成分区分开来。该算法基于方位角空间的高效计算,源自pyFAI快速方位角积分库的工作成果。在此基础上构建了两种应用:一种是有损压缩算法,另一种是峰值检测算法;通过对比压缩后数据在XDS和CrystFEL中的处理质量,评估了两者的性能。
原文摘要 · Abstract (English)
We present here a real-time analysis of diffraction images acquired at high frame-rate (925 Hz) and its application to macromolecular serial crystallography. The software uses a new signal separation algorithm, able to distinguish the amorphous (or powder diffraction) component from the diffraction signal originating from single crystals. It relies on the ability to work efficiently in azimuthal space and derives from the work performed on pyFAI, the fast azimuthal integration library. Two applications are built upon this separation algorithm: a lossy compression algorithm and a peak-picking algorithm; the performances of both is assessed by comparing data quality after reduction with XDS and CrystFEL.
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