Hello everybody,
the fact than many papers presenting results where refinements are flooded
by tsunami of restraints appear, is main responsibility of referees and
editors. For instance, CIF dictionary clearly defines restraints items,
but they do not appear in many published CIF's. Good question is if
"standard" refinement program generate these item in their CIF outputs.
I would also end with a quote, if you don't mind. Here it is :
"Common sense is not so common" (attributed to Voltaire, but I guess this
problem was common even in ancient Egypt even if not before ...)
lubo
On Fri, 9 Aug 2013, Alan Hewat wrote:
http://dx.doi.org/10.1107/S1600536813017522
proposed as an instance of the SDPD future trend
Fortunately this short paper is open access.
http://journals.iucr.org/e/issues/2013/07/00/vn2075/vn2075.pdf
It is truly a "tour de force" to quote N-H bonds determined to 3
significant figures from a heavy atom compound with one axis as long
as 17.5 Angstroms - by x-ray powder diffraction !
"The future isn't what it used to be" (Paul Valery, French poet)
Alan
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Dr Alan Hewat, NeutronOptics, Grenoble, FRANCE
<alan.he...@neutronoptics.com> +33.476.98.41.68
http://www.NeutronOptics.com/hewat
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