[cctbxbb] Computing E^4 from an mtz file

Graeme.Winter at diamond.ac.uk Graeme.Winter at diamond.ac.uk
Thu Dec 13 08:18:44 PST 2012

Hi Nat,

That gave me six and a bit: specifically 

    print f.second_moment(use_binning = False)


The E^2 = I/<I> need to be computed in bins. After that (E^2)^2 should be fine. This got me confused - it must be in there somewhere



On 13 Dec 2012, at 16:01, Nathaniel Echols wrote:

> On Thu, Dec 13, 2012 at 3:00 AM,  <Graeme.Winter at diamond.ac.uk> wrote:
>> Trying to write some code to return the average E^4 across (some) bins for an mtz file, I got to
>> ...
>> but I have no idea how to actually extract the information I want from sm as this only has show() which gives
>> ...
>> Really I would like the value programatically or at least a way of getting back an array of the binned values so I can average them myself (which is obviously trivial)
> Won't simply passing use_binning=False to second_moment() do what you
> want?  It returns a float in this mode (which is common to most
> methods which have a use_binning parameter).  If you want to obtain
> the value for a subset of bins you can use array.select() to pull out
> the bin(s) and then call second_moment(use_binning=False).
> Or am I completely misunderstanding the question?
> -Nat
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