Electron density calculator for 2D-hexagonal or 2D-square lattices

This Javascript calculates the 2D electron density distribution rho(r) of a 2D hexagonal or square lattice from diffraction data. Enter the number of peaks and the value of the 2D-lattice spacing (d). Enter the peak intensities I(q) or peak amplitudes F(q) and their signs of the scattering amplitudes (+ or -). Select the type of the 2D-lattice (hexagonal/square) and 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. The values are listed/plotted in rho(r) vs rx, ry in arbitrary units and can be copied and pasted from the window into any text-file for further processing and graphical displaying. A version which calculates the electron densities for all sign combinations of the amplitudes of the first three diffraction peaks can be found here (vertically) or here (horizontally).

Input rho (rx, ry)
 peaks 10 9 8 7 6 5 4 3 2 1 d Nr rmax I(10/10) + - I(11/11) + - I(20/20) + - I(21/21) + - I(30/22) + - I(22/30) + - I(31/31) + - I(40/32) + - I(32/40) + - I(41/41) + -

 2D-lattice: hexagonal square data / correction: I(q) / none I(q) / LC I(q) / LC+MC F(q) / LC+MC colorscale: Jet Hot Rainbow Earth Electric Viridis Cividis Portland Blackbody Picnic RdBu YlGnBu YlOrRd Bluered Greys Blues Reds Greens colorscale/background: normal/white reverse/white normal/black reverse/black 2D-plot: heatmap heatmap-smooth contour contour+heatmap contourlines 3D-plot: surface surface+contour

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