Hmm - not sure if this would work but it is worth a try.
Refine your model against twinned data to get PhiCalc
Go to
Reflection Data Tools
Calculate unusual map coeffs
Give reflection file with I+ and I- from data processing ( They are twinned
Is but maybe this will work)
Phases from your best
Dear Petr,
a map needs amplitudes and phases. In the case of the usual maps (2Fobs-Fcalc
and Fobs-Fcalc) calculated for twinned data, one can either
detwin the amplitudes, or take twinning into account in the Fcalc term.
When calculating the anomalous map, I believe that detwinning of
Dear colleagues,
We have data from a twinned crystal (merohedral twinning with fraction of 0.71)
for which we want to see the anomalous map. Could you please guide me how to
calculate it using the i2? Running refinement with REFMAC5 with merohedral
twinning does not allow simultaneous
