[cctbxbb] bin_centers() and d_star_sq

James Stroud xtald00d at gmail.com
Tue Apr 9 11:29:20 PDT 2013


I mean "d_star_power" instead of "d_star_sq".

James


On Apr 9, 2013, at 12:09 PM, James Stroud wrote:

> Hello All,
> 
> I'm genuinely perplexed about what factors should go into choosing an appropriate d_star_sq to calculate bin_centers() in cctbx.miller.binner. This decision may be a nuance because it doesn't seem change the output significantly (except for low resolution bins). But if it doesn't matter significantly, then why have the parameter in the first place?
> 
> James
> 
> 
> py> binner = miller.setup_binner(n_bins=10)
> py> binner.show_summary()
> unused:         - 81.7405 [   0/0   ]
> bin  1: 81.7405 -  6.1396 [2341/2341]
> bin  2:  6.1396 -  4.8734 [2213/2213]
> bin  3:  4.8734 -  4.2574 [2185/2185]
> bin  4:  4.2574 -  3.8681 [2168/2168]
> bin  5:  3.8681 -  3.5909 [2177/2177]
> bin  6:  3.5909 -  3.3792 [2156/2156]
> bin  7:  3.3792 -  3.2099 [2137/2137]
> bin  8:  3.2099 -  3.0702 [2144/2144]
> bin  9:  3.0702 -  2.9520 [2133/2133]
> bin 10:  2.9520 -  2.8501 [2135/2135]
> unused:  2.8501 -         [   0/0   ]
> py> centers = binner.bin_centers(1)
> py> list(1 / centers)
> [11.421375552155686,
>  5.4336997182888345,
>  4.544594791289144,
>  4.053431451445772,
>  3.7243527058119903,
>  3.481806175995981,
>  3.292371389128289,
>  3.138504394416836,
>  3.0099330507138475,
>  2.9001646196929975]
> py> centers = binner.bin_centers(4)
> py> list(1 / centers**(1 / 4))
> [7.301226942489155,
>  5.330776416864701,
>  4.514065417212759,
>  4.039592121777967,
>  3.716672320747147,
>  3.4770032890247498,
>  3.28912114749567,
>  3.13617782414047,
>  3.0081962210988116,
>  2.8988250671976883]
> 

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