Electron density calculator for 2Dhexagonal or 2Dsquare 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 2Dlattice 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 2Dlattice (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 textfile for further processing and graphical displaying.
Input
rho (rx, ry)
peaks
10
9
8
7
6
5
4
3
2
1
d
Nr
r
_{max}
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)
+

2Dlattice:
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
2Dplot:
heatmap
heatmapGL
contour
contour+heatmap
contourlines
3Dplot:
surface
surface+contour
Author:
M.Kriechbaum
, TUGraz (2018), email:
manfred.kriechbaum@tugraz.at