On Thu, 3 Jan 2013, Albert Escobedo wrote:
> I'd like to compare my results with published data where the following
> formalism is used to this end:
>
> deltaChemShiftav = ((deltaChemShift1H)^2 + ((deltaChemShift15N)^2)/5))^(1/2)
>
> where delta means increment, ChemShift is the chemical shift and av is
> average.
>
> My question is whether any of the two "Traj Dist" or "Shift Dist" is
> using this formalism and, if not, wich are the ones being used?
Shift Dist should give you what you need - be sure to set the relative
weigthing of the 15N shift as you wish it.
I think Traj Dist should be identical for a peak that shifts linearly, but
will be different and more appropriate for one that "turns a corner".
Dr. Brian O. Smith --------------------------- Brian Smith at glasgow ac uk
Institute of Molecular, Cell and Systems Biology & School of Life Sciences,
College of Medical, Veterinary & Life Sciences,
Joseph Black Building, University of Glasgow, Glasgow G12 8QQ, UK.
Tel: 0141 330 5167/6459/3089 Fax: 0141 330 4600
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