[cctbxbb] structure_factors() "d_max" equivalent

Pavel Afonine pafonine at lbl.gov
Thu Mar 21 07:34:22 PDT 2013


Hi James,

a few options:

1)
f_new = f_calc.resolution_filter(d_min=3, d_max=5)

2)
d_spacings = f_calc.d_spacings()
selection = d_spacings > 3
selection &=d_spacings < 5
f_new = f_calc.select(selection)

Pavel

On 3/21/13 12:50 AM, James Stroud wrote:
> Hello All,
>
> I'm new to cctbx and trying to get the most rudimentary understanding.
>
> I would like to select all of the reflections within a particular resolution shell. This line from the tutorial:
>
>    f_calc = quartz_structure.structure_factors(d_min=2).f_calc_array()
>
> gets all structure factors through the highest resolution of d_min=2 Å (excluding 0 0 0).
>
> My question: is there an equivalent to a d_max argument for this function (i.e. a low resolution limit)?
>
> James
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