On Thu, Dec 13, 2012 at 8:18 AM,
That gave me six and a bit: specifically
sm.show() print f.second_moment(use_binning = False)
6.46063790107
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
Ah, I think I see - look at the "data" attribute: sm = f.second_moment(use_binning=True) print sm. data [None, 2.3279309836355044, 2.8099112859261517, 2.1769967857271175, 2.200637763782145, 2.2919308734359407, 2.000356888782398, 1.7555453224108684, 1.4836662688931992, None] (using a dataset from the PDB) I've never fully understood what the first and last elements are supposed to mean (at least one is for "unused" data) - but you can get the elements of interested this way: for i_bin in f.binner().range_used() : # etc. -Nat