I(q) function calculator
This Javascript calculates the scattering curve I(q) of models consisting of up to 20 spheres with different x/y/z coordinates and optionally different radii and different electron densities using the Debye-formula in reciprocal space. Enter the number of spheres, their coordinates x(i), y(i), z(i), their radii r(i) and their electron-densities c(i). The spheres can also overlap (totally or partially) where the resulting electron density of the overlapping region is the sum of the overlapping electron densities. For N points the scattering curve from q = 0 to qz with a scaling factor f (optionally also in a logarithmic intensity scale) will be calculated. The values are listed in q vs I(q) or vs log(I(q)) in arbitrary units and can be copied and pasted from the window into any text-file for further processing and graphical displaying.
Input
I(q)
action
qz
n
f
x(1)
y(1)
z(1)
r(1)
c(1)
x(2)
y(2)
z(2)
r(2)
c(2)
x(3)
y(3)
z(3)
r(3)
c(3)
x(4)
y(4)
z(4)
r(4)
c(4)
x(5)
y(5)
z(5)
r(5)
c(5)
x(6)
y(6)
z(6)
r(6)
c(6)
x(7)
y(7)
z(7)
r(7)
c(7)
x(8)
y(8)
z(8)
r(8)
c(8)
x(9)
y(9)
z(9)
r(9)
c(9)
x(10)
y(10)
z(10)
r(10)
c(10)
x(11)
y(11)
z(11)
r(11)
c(11)
x(12)
y(12)
z(12)
r(12)
c(12)
x(13)
y(13)
z(13)
r(13)
c(13)
x(14)
y(14)
z(14)
r(14)
c(14)
x(15)
y(15)
z(15)
r(15)
c(15)
x(16)
y(16)
z(16)
r(16)
c(16)
x(17)
y(17)
z(17)
r(17)
c(17)
x(18)
y(18)
z(18)
r(18)
c(18)
x(19)
y(19)
z(19)
r(19)
c(19)
x(20)
y(20)
z(20)
r(20)
c(20)
spheres
20
19
18
17
16
15
14
13
12
11
10
9
8
7
6
5
4
3
2
1
I(q)
log I(q)
R
g
I(q)-plot
Author:
M.Kriechbaum
, TU-Graz (2020), e-mail:
manfred.kriechbaum@tugraz.at