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
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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participants (2)
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Almudena Ponce Salvatierra
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Pavel Afonine