Recovering the three-dimensional atomic structure of nanoparticles in the presence of atomic diffusion in scanning transmission electron microscopy

kinetic_Monte_Carlo_time_evolutions.zip contains all time evolutions where time steps correspond to pixel measurements in ADF-STEM, stored in lammpstrj-files for compatibility with various viewers. median_nanoparticles.zip contain the coordinates of the median nanoparticles, calculated from their corresponding time evolutions. simulated_images.zip contains subdirectories named dose_1e3, ..., dose_1e5, and dose_Inf which contain the simulated ADF-STEM images using the time evolutions for their corresponding simulated electron dose measured in electrons per squared Angstrom. (Infinite dose is noise-free.) bga_reconstructions.zip contains subdirectories named after the applicable doses which contain the coordinates of the BGA reconstructions of the nanoparticles for all analysed images. surface_fractions.zip contains the calculated recovered surface fractions as mat-files. The mat-files contain arrays of recovered surface fractions, for various comparisons: surffracs_bga_median.mat compares the reconstructed BGA structures to the median structures recovered from the time evolutions. The array is a 6x32 double, for the 6 considered doses (1e3, ..., inf) and the 32 time evolutions. surffracs_time_median.mat compares the time evolution steps to the median structures which were recovered from their respective time evolutions. The array is a 65536x32 double, for the 65536 time steps in the time evolution and the 32 time evolutions. surffracs_time_bga.mat compares the time evolution steps to the reconstructed BGA structures. The array is a 65536x32x6 double, for the 65536 time steps, 6 considered doses, and 32 time evolutions. Additional analyses were carried out in which 8 additional scalings of the time evolution were simulated. For these 8 new values, 5 new time evolutions were generated using the kinetic Monte Carlo method. For these 40 time evolutions, all 6 previously considered doses were again applied prior to analysis. The data is zipped in the file additional_analyses_timescaling.zip with the same