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One more final note about Scalepack and cell parameters, that I had meant to post yesterday and failed to because of a typo.
Even though v1.97.2 has "desirable" behavior in outputting the post-refined cell parameters in the .sca file, it still appears to calculate the resolution of each reflection from the unit cell that appears in the first input (denzo) file. It does not appear to recalculate the resolution with the post-refined parameters.
Although I have only seen this once as a pathological case, it can mean that the resolution cutoff calculated in Scalepack can be significantly at odds with what Scalepack2mtz thinks your maximum resolution is (using the post-refined parameters) so it pays to scale to at least a little beyond your intended maximum resolution for refinement or phasing.
Phil Jeffrey Princeton
