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:
CIF (Crystallographic Interchange File), ".cif"
CMTX (CrystalMaker text file), ".cmtx"
CMDF (CrystalMaker binary crystal file), ".crystal" or ".cmdf"
STRUPLO input file, ".str" or ".struplo"
Note that if a file contains more than one structure, CrystalDiffract will create a series of diffraction patterns, one per structure.
See Also