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Figure 1
Method of simulation. (a) Atomic positions are generated (color is used to better indicate depth), which are (b) Fourier transformed to a regular Cartesian 3D grid (scattered photons shown on log scale). (c) An inverse fast Fourier transform of the full complex scattered wave gives the electron density from which (d) the atomic positions and atomic number (indicated by size) can be recovered. Dashed spheres designate the actual atomic positions for comparison.

Journal logoJOURNAL OF
SYNCHROTRON
RADIATION
ISSN: 1600-5775
Volume 22| Part 6| October 2015| Pages 1498-1508
doi:10.1107/S1600577515017336
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