[phenixbb] Unusual CCP4 to Phenix data conversion result

Nathaniel Echols nechols at lbl.gov
Mon Oct 24 07:02:38 PDT 2011

On Mon, Oct 24, 2011 at 5:36 AM, R.M. Garavito <garavito at msu.edu> wrote:
> No, this is no real problem as we have now solved it locally by deleting or
> rearranging columns in sftools.  Using phenix.reflection_file_convert would
> work just as well.  The point is that input and output formats tend to be
> obscured for the GUI users (which tend to be the younger users).  Having a
> phenix page or wiki which briefly informs users of file handling and
> input/output data order would be helpful.  Some of our efforts involve
> comparing CCP4 and Phenix results, which means that compatible mtz files are
> required. The nuts and bolts of CCP4 tends to be a little more transparent
> than in Phenix, but I like the data handling organization in Phenix.  As the
> two program suites diverge in philosophy and implementation, the differences
> will need to be highlighted for users who want to use both. Thanks for the
> help.

Agreed, this is confusing for us sometimes, and we wrote the code!
For the editor, I have slightly expanded the documentation here:


On reading it again, I think I need to clarify what constitutes an
"array" in PHENIX, since this is usually *not* the same as a "column"
in CCP4.


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