A predicted model-aided reconstruction algorithm for X-ray free-electron laser single-particle imaging

Abstract

Ultra-intense, ultra-fast X-ray free-electron lasers (XFELs) enable the imaging of single protein molecules under ambient temperature and pressure. A crucial aspect of structure reconstruction involves determining the relative orientations of each diffraction pattern and recovering the missing phase information. In this paper, we introduce a predicted model-aided algorithm for orientation determination and phase retrieval, which has been tested on various simulated datasets and has shown significant improvements in the success rate, accuracy and efficiency of XFEL data reconstruction.

Keywords

• single-particle imaging
• x-ray free-electron lasers
• 3d reconstruction
• phase problem
• protein structures
• single particles
• molecular orientation determination
• xfels