[phenixbb] error

Ralf W. Grosse-Kunstleve rwgk at cci.lbl.gov
Thu Sep 25 12:07:31 PDT 2008


> iotbx.reflection_file_utils.Sorry_Not_a_suitable_array: Not a suitable  
> array of experimental phases: refineme
> nt.input.experimental_phases.labels=HLAM,HLBM,HLCM,HLDM

phenix.refine (more precisely, iotbx.reflection_file_utils) applies
a bunch of heuristics to make sense of the inputs ("what's f-obs,
what's r-free-flags", etc.). Somehow your array isn't compatible with
the expectations. I'm guessing because all Hendrickson-Lattman
coefficients are zero.
You can find out like this:
  phenix.mtz.dump your.mtz --show-column-data --column-data-format=human_readable
If my guess isn't correct, could you send me your mtz file, or
at least the output of just phenix.mtz.dump (i.e. just the summary,
without the data)?

Ralf



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