On 1 November 2016 at 22:12, Mahdi, Sam <sam.mahdi.846@xxxxxxxxxxx> wrote:
Hello everyone,
I had a quick question regarding running the single model free run (m4).
For some proteins we only have data at only one field strength, so I know I
can't use the d'Auvergene protocol (needs a minimum of 4), so I was
thinking I could run the all models free model. The problem is, I know
models m6-m9 are models for another field strength, but since I don't have
data at another field strength, could I just remove them? Or will relax
just not run m6-9 since I've only loaded one field strength?
Hi Sam,
The protocol I designed for iteratively optimising and fine tuning the
coupled diffusion tensor + model-free optimisation and model selection
problem will only work with 2 or more fields. If you would like to
understand this problem, please read:
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)
From this, hopefully you will understand why the NMR field will not
take any results from a single field strength analysis seriously.
Note that this has been the case since the mid 1990's.
Regards,
Edward
Re: Using modified all models free