Dear Wim,

I suppose that the solvent content would influence the Wilson plot and also the distribution of atoms in the unit cell, I would not be too alarmed about the discrepancy.

Interestingly, the Wilson plot of the Fcalc values is about 60 A2 as for Fobs in the output dataset.

As far as I understand, a refinement program alters the model so that the calculated structure factors match the observed ones (this view might be a little simplified for programs applying maximum likelihood), so your observation confirms that the refinement program did a good job and is not very surprising.

Tim

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