Re: R2 from R1rho & R1 -- March 26, 2014 - 14:10

Well, you can chose to try all models.

Then relax will do a model selection, due to AIC criterion.

Relax will make model.out file in the "final" directory, and perform monte carlo error analysis.

Then one can then consider doing a global fitting/clustering analysis for some residues, choosing one of the models.

Reading in the old results directory from the previous run. That will average the values for the global parameter kex.

This will probably modify the R2 values, since they are now fitted under restriction of the global parameters.

If have not yet completed a tutorial for setting up R1rho.

http://wiki.nmr-relax.com/Tutorial_for_Relaxation_dispersion_analysis_r1rho_fixed_time_recorded_on_varian_as_sequential_spectra

But you can see the system test in:

test_suite/system_tests/relax_disp.py under def test_r1rho_kjaergaard(self):

Best

Troels

2014-03-26 12:58 GMT+01:00 Justin Lecher <j.lecher@xxxxxxxxxxxxx>:

On 26/03/14 12:47, Troels Emtekær Linnet wrote:
> Hi Justin.
>
> If one have R1, and R1rho, R2 (R1rho') is fitted in:
> http://wiki.nmr-relax.com/DPL94
> http://wiki.nmr-relax.com/TAP03
> http://wiki.nmr-relax.com/TP02
> http://wiki.nmr-relax.com/NS_R1rho_2-site
>
> R1+(R2) can be made by:
> http://wiki.nmr-relax.com/Tutorial_for_R1/R2_Relaxation_curve-fitting_analysis_on_varian_recorded_as_fid_interleaved
> (A tutorial I made for our students in our lab. We have Varian at our
> place).
>
> Best
> Troels
>

Hi Troels,

perfect, thanks! I found the wiki pages, but I wasn't sure which one is
the best to choose. Any general suggestion or does it strictly depend on
the type of model which applies best to my system?

thanks

Justin

--
Justin Lecher
Institute of Complex Systems
ICS-6 Structural Biochemistry
Research Centre Juelich
52425 Juelich, Germany
phone: +49 2461 61 2117