Abstract

Single shot diffraction imaging experiments via X-ray free-electron lasers can generate as many as hundreds of thousands of diffraction patterns of scattering objects. Recovering the real space contrast of a scattering object from these patterns currently requires a reconstruction process with user guidance in a number of steps, introducing severe bottlenecks in data processing. We present a series of measures that replace user guidance with algorithms that reconstruct contrasts in an unsupervised fashion. We demonstrate the feasibility of automating the reconstruction process by generating hundreds of contrasts obtained from soot particle diffraction experiments.

Highlights

  • Single-shot diffraction imaging via X-ray free-electron lasers [1] has emerged as a potentially significant tool for studying particles in the nanometer regime, from biological samples [2, 3] to nanocrystals [4]

  • Single shot diffraction imaging experiments via X-ray freeelectron lasers can generate as many as hundreds of thousands of diffraction patterns of scattering objects

  • As particles of interest are propelled into the path of short X-ray pulses of high fluence such as those generated at the Linac Coherent Light Source (LCLS), their interaction diffracts a small fraction of the photons off the particle before the onset of significant radiation damage

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Summary

Introduction

Single-shot diffraction imaging via X-ray free-electron lasers [1] has emerged as a potentially significant tool for studying particles in the nanometer regime, from biological samples [2, 3] to nanocrystals [4]. A typical imaging experiment could generate hundreds of thousands of usable diffraction patterns in a single day, compelling the need for an unsupervised contrast reconstruction process requiring minimal user guidance. We identified steps during the reconstruction process that require user guidance and replaced them with reasonable algorithms. Through these measures, we were able to successfully reconstruct hundreds of contrasts with minimal guidance

Experiment and data set
Practical considerations
Centering the diffraction pattern
Noise robust difference map
Unsupervised reconstruction assessment
Missing data
Results
Conclusion
Full Text
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