Figure 3: Ankylographic reconstruction of the 3D structure of the threonine molecule. | Nature Communications

Figure 3: Ankylographic reconstruction of the 3D structure of the threonine molecule.

From: Sparsity-based Ankylography for Recovering 3D molecular structures from single-shot 2D scattered light intensity

Figure 3

(a) The original 3D structure of threonine. (b) Sparse reconstruction using our sparsity-based method, GESPAR. (c) Sparse reconstruction performed by introducing sparsity into the HIO algorithm used in ref. 10. Adding the sparsity constraints to HIO leads to major improvement in the reconstruction, but the recovery quality is still inferior compared with GESPAR. Using sparsity-based methodology facilitates correct reconstruction, as shown in (b). The different radii of the spheres represent the atoms, from largest to smallest, carbon, nitrogen, oxygen and hydrogen. The colours represent the charge density of the atoms, from highest to lowest (red, orange, yellow, green, blue and light purple). Specifically, the light purple spheres in c are artifacts of the HIO algorithm.

Back to article page