Hi Edward,
No, there is nothing published. Nikolai said that anyways it's trivial :-)
He derived it basically by putting the Bloch-McConnell equations to
Maple and simplifying it there. I guess there is something like a
FullSimplify (that's Mathematica-style, but I guess Maple does it
similarly).
I guess the main advantage is speed, and in fact in all cases I have
seen it does exactly the same as the explicit Bloch-McConnell treatment,
so I see it as the treatment that one would like to use.
I agree that having something undocumented there is not particularly
nice, but in the end it's up to the user whether or not to use this
faster treatment (and compare it to the slower Bloch-McConnell one if
needed).
paul
On 17.07.13 15:14, Edward d'Auvergne wrote:
Hello,
I am now adding the numerical dispersion model derived by Nikolai
Skrynnikov to relax. This is model 5 from the fitting_main_kex.py
script (for reference attached to https://gna.org/task/?7712). I was
wondering if there was a published reference for this that you know
of? This would be useful for the model name and for the
documentation.
Cheers,
Edward
--
Paul Schanda, Ph.D.
Biomolecular NMR group
Institut de Biologie Structurale Jean-Pierre Ebel (IBS)
41, rue Jules Horowitz
F-38027 Grenoble
France
+33 438 78 95 55
paul.schanda@xxxxxx
http://www.ibs.fr/groups/biomolecular-nmr-spectroscopy?lang=en
Re: Reference for the Skrynnikov derivation?