[phenixbb] HKL_base

Ed Pozharski epozh001 at umaryland.edu
Mon Aug 16 18:20:53 PDT 2010

So far I've only checked the phenix.refine output files (both mtz with
map coefficients and calculated amplitudes).

I ran into this with some of my own code automatically assuming the 5.0
compliance and using the HKL_base dataset to get the unit cell



On Mon, 2010-08-16 at 16:15 -0700, Ralf W. Grosse-Kunstleve wrote:
> Hi Ed,
> > MTZ-files generated by phenix (at least some of them) are missing the
> > base dataset (HKL_base) which is a requirement since CCP4 5.0. Is this
> > deliberate?
> Could you be more specific?
> The iotbx.mtz library I wrote should create the HKL_base pseudo-dataset.
> But we also generate mtz files from solve, resolve, and phaser, which
> use the raw cmtzlib directly. If you know which phenix application
> didn't write the HKL_base it will save us some time reviewing the
> various mtz writers.
> Also, I'm curious to know where you run into difficulties with the
> old-style mtz files.
> Ralf
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