Good morning all,
It is with some trepidation I raise the following question: does anyone still care about reindexing orthorhombic lattices so that the unique axis is C? I.e. P21221 => P21212
Back in the day certain programs would express unhappiness if you fed them P21 2 21 (say) data - I am certain that this problem has gone away. Is there any reason in 2016 that (say) xia2 should write out symmetry based not cell based data? I am leaning towards indexing these so that a < b < c and then the screw axes are whatever they are.
How do people feel about this?
Thanks & best wishes Graeme
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