CrystalDiffract can simulate a diffraction pattern for any crystal. You can build a new crystal in the program, or open an existing crystal file.

Once a crystal has been loaded into CrystalDiffract, the program will calculate a list of reflexions (out to the maximum number of reflexions, or the minimum d-spacing you specify). Reflexions can then be displayed in the form of an x-ray or neutron powder diffraction pattern.

You can control your simulation in various ways: