Parameters for simulations.

The parameters used in the calculations for each molecule type. (a) the value at which the function is truncated before inversion to obtain distance distributions. (b) the maximum inter-particle separation used for basis functions for inversion of (c) the spacing between basis functions. Set A: errors at 0.01% I(0) and energies of 11.6–12.4 keV at 200 eV intervals. Gold atom or nanocrystal labels. Set B: errors at 0.1% I(0) and energies of 11.800, 11.912, 11.914, 11.916, 11.918, 11.920, 11.922, 12.000, 12.200 keV. Gold nanocrystal labels. Set C: errors at 0.01% I(0) and energies of 11.6–12.4 eV at 100 eV intervals. Gold and platinum nanocrystal labels.