PF2 fit: Polar Fast Fourier Matched Alignment of Atomistic Structures with 3D Electron Microscopy Maps
Fig 10
Speed-accuracy trade-offs for NCCS.
NCCS is computed on a non-uniform grid based on the atom positions. If the grid is sparse, then it is expected that a lower degree expansion of the spherical basis functions would sufficiently represent it. We applied NCCS with the expansion degree (L) varied between 5 to 20, on the synthesized EM dataset (blurring to 12A resolution) and using 30k samples in SO(3) space. The plot shows that the error decreases and runtime increases with L. However, the change is runtime is more pronounced than the change in error, for example, the runtime is 35% faster for L = 5 while the error is only 5% more than that of L = 20.