Hi there,
I am on my way to report my 15N HSQC titration results and a question has raised on how to do it. When using the "Follow Shift Changes" panel, labels on "Traj Dist" and "Shift Dist" are descriptive but as long as no mathematical formalism is specified I can not decide on which one to use to plot my data and set a significance threshold.
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?
Thanks in advance,
Albert
|