Diffraction calculator of 3D-cubic lattices x, y, 5 z-slices.

Enter the number of shells in the 3D-square unit cell, the shape of each shell (spherical or cubical), their radii r and their electron densities c, the type (P/F/I) and lattice spacing d (a=b=c) of the cubic space group (P221/F225/I229). The radius r in case of a cube is the radius of the inscribed sphere. The radii should be increasing from 1 to 10 and intersecting of cubes and spheres should be avoided. The diffraction peaks up to hkl-max ((h*h+k*k+l*l) < 400) of the cubic lattice will be calculated. The values are listed as h, k, l, h*h+k*k+l*l, multiplicity and y-data multiplied by a scaling factor f (scattering amplitudes Fhkl). Units are arbitrary (A or nm) and can be copied and pasted from the window into any text-file for further processing and graphical displaying. The electron density will then be recalculated from the calculated diffraction peaks and plotted for nx * ny points (2D) from the center of the symmetric unit cell for n x n cell units at five z-slices in the perpendicular z-axis, starting at the 1st z-slice (z0) separated by equidistant widths zw (z0 < z < z0+5*zw)). F(0) will also be calculated and used in the electron density calculations. By default the color scales of the z-slices are autoscaled (zmin=zmax) for each slice, but can be set manually to the same constant value for all slices (zmax > zmin),