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).
|