TEMStrain    

Kinematic simulation

Schematic diagram of the kinematic simulation of the pattern can be displayed by clicking on "Simulate pattern" on the program main interface. The current version of the program utilizes the table of D.Waasmaier & A.Kirfel (Acta Cryst. A51, 416-431 (1995))  for calculation of X-ray relativistic form factors and Mott formula for structure factor calculations. Right click on "Simulate pattern" allows for viewing the kinematically simulated pattern and lines drawn for marking reflections.

The simulation is controlled by the entries of “Settings/Simulation/Kinematic simulation”. The entries there are: a limit on “Maximal Miller index”,  “Minimal intensity ratio” and  “Number of reflections”.  For a given reflection, “intensity ratio” is the ratio of its intensity to the intensity of most intense reflection; reflections with intensity ratios above “Minimal intensity ratio” are taken into account. If  “Number of reflections” equals N, the N most intense reflections influencing the pattern are taken into account. In the program performing kinematic simulation, a line is assumed to be in the pattern if it is at the distance smaller than the half of pattern diagonal from the pattern center; since this corresponds to a circular pattern, and a displayed pattern is a square inscribed in that circle, the actual number of displayed lines may be smaller than N. 
All three limits are applied, i.e. the set of diaplayed reflections is an intersection of  three sets determined by the above conditions. For eliminating one or two conditions, enter extreme values in the corresponding text box.