Hi Pavel AFAIK it's not in the literature, in fact I wasn't even aware it was in phenix, but that's probably only because we don't use phenix (sorry! - being commercial we would have to pay for it!). The problem is always where you put little tidbits like this, unless it's part of a much bigger piece of work.
Cheers -- Ian On Mon, Apr 19, 2010 at 7:35 PM, Pavel Afonine <[email protected]> wrote: > Hi Ian, > >> ... or you could just use the RMSD of the difference map (i.e. that >> using 2(mFo-DFc) coefficients for acentric reflns), which is a >> reasonable approximation of the uncertainty provided most of the >> structure is accounted for, as the uncertainty of the Fourier map >> (i.e. that using 2mFo-DFc for acentrics). Note that for this to work >> you must use the correct 'minimally biased' coefficients, i.e. >> 2(mFo-DFc) for acentric reflns, and (mFo-DFc) for centrics; I suspect >> some programs are still not doing this correctly. > > thanks for shedding some light on this subject! I coded this way of map > calculation in phenix.refine without actually understanding why it has to be > this way. Did anybody discuss this in the literature (or it's too obvious to > be worth of discussion -:) )? > > Pavel. > >
