[phenixbb] error message in phenix refine
pafonine at lbl.gov
Fri Mar 20 07:19:19 PDT 2015
the error message tries to tell you that for (0, 0, 16) index
corresponding R-free-flag(+) and R-free-flag(-) are different indicating
that something must have gone wrong when you were manipulating the files
or may be the original tool that you used to create R-free-flag did it
Can you send me that MTZ file and also explain how you obtained it?
On 3/20/15 7:06 AM, Almudena Ponce Salvatierra wrote:
> Hi everyone,
> I have merged 3 mtz files into one and done successfully Molecular
> replacement with it. However when I try to refine, I get the following
> error message: "cctbx error: merge_equivalents_exact: imcompatible
> flags for hkl (0, 0, 16) (mismatch between Friedel pairs).
> How can I fix this?
> Thank you very much in advance.
> Almudena Ponce-Salvatierra
> Macromolecular crystallography and Nucleic acid chemistry
> Max Planck Institute for Biophysical Chemistry
> Am Fassberg 11 37077 Göttingen
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> phenixbb at phenix-online.org
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