There are many reasons why this could have ocurred.
One is that your NCS operator is very close to being a crystallographic
one.
But you need to give more details of the problem before I can comment
sensibly
Eleanor
Sun Tang wrote:
> Dear All,
>
> In refining my structure (two molecules in au) that was solved with molecular replacement, refinement starting with restrained lowered the R-free to about 0.35 while with NCS increased the R-free to 0.55. Does it imply that two molecules are quite different or something wrong with the refinement?
>
> Thank you very much for your suggestions?
>
> Best wishes,
>
> Sun Tang
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