I(q) calculator of a lattice

This Javascript calculates the diffraction pattern I(q) of a 1D (lamellar), of a 2D (hexagonal), or of a 3D (cubic) lattice, respectively. Select the lattice type (or the cubic space group between 195-230), enter the lattice spacing (size), the number n of peaks (1 to 8, peak c(0) at q=0 is not counted), their peak areas c(i), the FWHM and an optional constant y-offset of the peaks (for vertical shifting of the plots). For Nr points I(q) from q = 0 to ~ n*2*Pi/size will be calculated. The values are listed/plotted in I(q) vs q in arbitrary units (or I(2theta) vs 2theta in deg using the entered value of the wavelength which is in the same arbitrary units as the size unit) and can be copied and pasted from the window into any text-file for further processing and graphical displaying. Permitted Bragg-reflections for selected lattice types are listed here.

Input I(q)
peaks lattice
Nr wavelength
fwhm size
c(0) c(1)
c(2) c(3)
c(4) c(5)
c(6) c(7)
c(8) offset
overlay: yes no
x-axis: q 2theta



Author: M.Kriechbaum, TU-Graz (2012), e-mail: manfred.kriechbaum@tugraz.at