Open-source code for manifold-based 3D rotation recovery of X-ray scattering patterns

Abstract

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.