Electron density calculator for 2D-hexagonal lattices

This Javascript calculates the 2D electron density distribution rho(r) of a hexagonal lattice from scattering data. Enter the value of the 2D-lattice spacing (d). Enter the peak intensities I(q) and the signs of the scattering amplitude F(q) of the first three order (1/0, 1/1, 2/0) reflections (+ or -). Select the type of the corrections already applied to the input data: 'none' means no corrections, LC means Lorentz correction (multiplied by q*q) and MC means multiplicity correction (divided by the multiplicities) have already been applied. F(q) have to be entered both LC and MC corrected. For 2*Nr points rho(r) from -rmax = -rx = -ry to rmax = rx = ry will be calculated. If the calculation takes too long (on a slow computer) decrease Nr. For three reflections the electron density with the 4 sign combinations will be calculated: x/+/+, x/+/-, x/-/+, x/-/-, where x is the sign of the first order reflection. The values are listed/plotted in rho(r) vs rx, ry for all 4 combinations in arbitrary units and can be copied and pasted from the window into any text-file for further processing and graphical displaying. Each of the 4 plots are individually autoscaled if zmin=zmax, if zmax is set larger than zmin then all 4 plots are manually color-scaled to the same selected zmin and zmax values.

Input rho (rx, ry)

data / correction:
scaling f:

Author: M.Kriechbaum, TU-Graz (2018), e-mail: manfred.kriechbaum@tugraz.at