X Ray Structure Factor

Description

Compute and display simplified X-Ray structure factors. Simplified because does not take into account the scatter factors and, like neutron scattering, uses the atomic number only.

Input Ports

structure_in MoleculeType Molecular structure data containing unit cell definition data.

Parameters

Max index slider Maximum refraction index used in the summation.
X axis units radio buttons Select the unit to be used on the X axis:
sin(theta/lambda)
...
2 theta
The usual diffraction angle
Lambda numeric field X Ray wavelenght. This field appears if 2theta X axis units is selected.
X Ray Structure Factor Graph standard
AVS/Express General Graph module
Cahrt of intensity vs. |k|.

Output Ports

k_modulus float array The chart X axis values.
intensity float array The chart Y axis values.
graph DefaultObject The chart of the factor intensities vs the selected variable. It must be connected to a 2D viewer.

Limitations

It does not take into account the scatter factors and, like neutron scattering, uses the atomic number.

Return to index