On Tue, 2011-07-26 at 09:51 -0400, zhang yu wrote:
> I would like to have a close look at the reflections. for example, the
> average I/sigma for reflections with h+k=2n+1 and reflections with h
> +k=2n.
Once you have your reflections listed in a file having h,k,l,f,sigf as
first five columns (e.g. scalepack output), this trivial one-liner will
print even (h+k) reflections
awk '{if(($1+$2)%2==0) print;}' foo.sca
It's easy to get the reflections in text format out of an mtz file:
mtzdmp foo.mtz -n -1
With that said, I suspect xtriage may be helpful in identifying
pseudotranslational NCS, as well as good ole Patterson synthesis.
Cheers,
Ed.
--
Oh, suddenly throwing a giraffe into a volcano to make water is crazy?
Julian, King of Lemurs
