currently all peaks at the same 2Theta position are merged together and only one line is printed for them. Maybe it would be better to only combine peaks which belong to symmetry equivalent group.
This could maybe be optional to avoid exzessive output if Crystal is converted to P1 space group.
At the same time one could also add multiplicity and d-spacing columns. maybe prettyprint support?
currently all peaks at the same 2Theta position are merged together and only one line is printed for them. Maybe it would be better to only combine peaks which belong to symmetry equivalent group.
This could maybe be optional to avoid exzessive output if Crystal is converted to P1 space group.
At the same time one could also add multiplicity and d-spacing columns. maybe prettyprint support?