[phenixbb] Rfree flag transfer
nechols at lbl.gov
Tue Dec 6 11:39:33 PST 2011
PS. You should also update to the latest installer - I have fixed a
lot of bugs in that program in the last few months.
On Tue, Dec 6, 2011 at 11:38 AM, Nathaniel Echols <nechols at lbl.gov> wrote:
> On Tue, Dec 6, 2011 at 11:34 AM, Zhang yu <phenixzyfish at gmail.com> wrote:
>> I am using phenix_1.7.1-743 GUI. I would like to transfer Rfree tag from one
>> dataset to the other one, but had the following error,
>> "The uni cell for the Miller array /***/*** (186.326, 103.98, 297.48, 90,
>> 98.465, 90)" is significantly different than the output unit cell (183.486,
>> 103.5, 295.416, 90, 98.828, 90)"
>> Two datasets are from same kind of crystal, but with slight different cells.
>> I guess that is why "Reflection file editor" refused to do it. Could anyone
>> tell me how to avoid the error?
> Click the button labeled "Change symmetry", and then check the box
> "Disable unit cell check" in the dialog that appears. This comes up
> often enough that I should probably change the tolerance, at least for
> R-free flags. (I'm also planning to re-arrange that interface to
> split it into two tabs, one for files and data arrays and one for
> everything else.)
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