[cctbxbb] structure_factors() "d_max" equivalent

[Nathaniel Echols]

I realize everyone has an endless to-do list, but this would be
awesome wiki material.

Also note that the binning functionality of cctbx.miller.array
provides a way to generate resolution shells automatically, although
I'd need to check the exact syntax.

-Nat

On Thu, Mar 21, 2013 at 7:34 AM, Pavel Afonine <pafonine at lbl.gov> wrote:
> 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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>> cctbxbb at phenix-online.org
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>
>
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