Open-source code for manifold-based 3D rotation recovery of X-ray scattering patterns
This work addresses the challenge of orientation recovery in X-ray scattering for researchers in structural biology or materials science, but it is incremental as it focuses on implementing and sharing an existing method.
The authors tackled the problem of estimating 3D orientations from 2D X-ray scattering patterns in single-particle imaging, where orientations cannot be controlled during experiments, by providing an open-source code for a rigorous technique and discussing practical solutions.
Single particle 3D imaging with ultrashort X-ray laser pulses is based on collecting and combining the information content of 2D scattering patterns of an object at different orientations. Typical sample-delivery schemes leave little or no room for controlling the orientations. As such, the orientation associated with a given snapshot should be estimated after the experiment. Here we present an open-source code for the most rigorous technique having been reported in this context. Some practical issues along with proposed solutions are also discussed.