Hi Almudena,

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 incorrectly.

Can you send me that MTZ file and also explain how you obtained it?

Pavel

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.

Best,

Almudena

--

Almudena Ponce-Salvatierra
Macromolecular crystallography and Nucleic acid chemistry

Max Planck Institute for Biophysical Chemistry

Am Fassberg 11 37077 Göttingen

Germany
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