[cctbxbb] Computing E^4 from an mtz file

Nathaniel Echols nechols at lbl.gov
Thu Dec 13 08:01:56 PST 2012

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?


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