mailRe: relax-users Digest, Vol 116, Issue 38


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Posted by Edward d'Auvergne on November 11, 2016 - 10:38:
On 29 October 2016 at 23:44, Mahdi, Sam <sam.mahdi.846@xxxxxxxxxxx> wrote:
Hi Edward,

I was reading the theory on model free within the manual and I had a quick
question. The d'Auvergne protocol, is that the model-free analysis in
reverse with the universal solution?

Yes, that is the technique.

Or is that the model-free models with
only the AIC model selection (no universal solution). Both methods were
under the new-protocol section, so I was confused a bit as to which one the
d'Auvergne protocol is running.

This is a fragment of the protocol.  It is one part of the iterative
procedure shared with the methods that require an initial, external
diffusion tensor estimate.  The key references to understand all of
this are:

    d'Auvergne E. J., Gooley P. R. (2007). Set theory formulation of
the model-free problem and the diffusion seeded model-free paradigm.
Mol. Biosyst., 3(7), 483-494. (http://dx.doi.org/10.1039/b702202f)

    d'Auvergne, E. J. and Gooley, P. R. (2008). Optimisation of NMR
dynamic models II. A new methodology for the dual optimisation of the
model-free parameters and the Brownian rotational diffusion tensor. J.
Biomol. NMR, 40(2), 121-133.
(http://dx.doi.org/10.1007/s10858-007-9213-3)

Regards,

Edward



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