Special features of "laue"

You may also want to look at the full parameter list of all the buttons and sliders, or at one of the general help files, Sliders, or Graphs.

KEY EQUIVALENT

The graphs in laue are recalculated when the calculate... button is pressed, not when the parameters are changed. Pressing spacebar is equivalent to the calculate... button.

DISCRETE TRANSFORM EFFECTS

MISCELLANEOUS

The product (points sampled per atom) times (number of unit cells) is restricted by the program to a maximum value of 32768. (For Windows 95 and Windows 3.1x systems you must stay at or below 8192.) Remember also that points sampled per atom) and number of unit cells must each be an integral power of 2.

For the case of a single atom per cell, the diffraction intensities are normalized to unity for the central peak. For the diatomic crystal the central peak intensity will be (1 + ZB/ZA)^2.

Keep atoms small enough that their electron densities don't overlap; and broad enough that the diffracted intensity is zero at the extreme ends of the plots (to avoid aliasing).