Hi Yuan,I think you cannot merge the 2 data sets if the space group is indeed P21. If you have systematic extinctions along the b* axis both on the data set with b=87.085 and with b=79.857 then the crystals are simply different.
Fred. Yuan Cheng wrote:
The problem is one dataset has cell dimension (80.632,87.085,114.977),(90,90.026,90) and the other one has (85.497,79.857,114.003) (90,90.004,90).
