A crystal structure is required in order to simulate a powder diffraction pattern. CrystalDiffract can read from crystal structures saved in the following file formats and file extensions:

Note that if a file contains more than one structure, CrystalDiffract will create a series of diffraction patterns, one per structure.

Show To open a saved crystal in a new window

Do one of the following:

Show To open a saved crystal in the same window

Do one of the following:

see also

Creating a new crystal