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. |
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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)
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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.
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