This example uses example Cimetidine data from the EXPO software
|Now assuming you have solved the structure to an acceptable level, it might be a very good idea to check for missing symmetry and check if the Platon ADDSYM algorithm can suggest a better spacegroup from the symmetry elements it finds from the structure.|
Run Platon and load the Cimetidine file generated from your structure solution (after
do a rough refinement - EXPO does a decent automatic refinement of found atoms after solving)
Under the SYMMETRY option, select ADDSYM and Platon will
do the rest. In this case, it does not find any extra symmetry which is a
good sign that you may have the highest symmetry possible for this structure.