[cctbxbb] structure_factors() "d_max" equivalent

Claudia Millán Nebot cmncri at ibmb.csic.es
Thu Mar 21 00:58:13 PDT 2013


Hi James,

i think that the method resolution_filter, of miller.array objects, could
do that for you.

Cheers,

Claudia Millán (cmncri at ibmb.csic.es)

Institut de Biologia Molecular de Barcelona (IBMB-CSIC)

Barcelona, Spain


2013/3/21 James Stroud <xtald00d at gmail.com>

> 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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