[phenixbb] Rfree flag transfer

Nathaniel Echols nechols at lbl.gov
Tue Dec 6 11:38:39 PST 2011

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.)


More information about the phenixbb mailing list