论文标题
在X射线自由电子激光器上使用有限数据的单个粒子成像的高级工作流程
An advanced workflow for single particle imaging with the limited data at an X-ray free-electron laser
论文作者
论文摘要
此处介绍了使用有限数据的单个粒子成像（SPI）实验的改进分析。结果基于对SPI计划的一部分在Linac Cooherent Light Source（LCLS）在AMO仪器上进行的噬菌体PR772的研究。对现有方法进行了修改以应对实验数据的缺点：从一半的检测器和一小部分单命中的信息中无法访问信息。一般SPI分析工作流程通过基于预期最大化的衍射模式的分类和模式分解的最终病毒结构确定步骤进行升级。提出的加工管道使我们能够确定噬菌体PR772的三维结构，而没有对称约束，空间分辨率为6.9 nm。在实验过程中的散射强度和相对较少的单个命中量受到限制，获得的分辨率受到限制。
An improved analysis for single particle imaging (SPI) experiments, using the limited data, is presented here. Results are based on a study of bacteriophage PR772 performed at the AMO instrument at the Linac Coherent Light Source (LCLS) as part of the SPI initiative. Existing methods were modified to cope with the shortcomings of the experimental data: inaccessibility of information from the half of the detector and small fraction of single hits. General SPI analysis workflow was upgraded with the expectation-maximization based classification of diffraction patterns and mode decomposition on the final virus structure determination step. The presented processing pipeline allowed us to determine the three-dimensional structure of the bacteriophage PR772 without symmetry constraints with a spatial resolution of 6.9 nm. The obtained resolution was limited by the scattering intensity during the experiment and the relatively small number of single hits.
