mailRe: R1rho RD analysis


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Posted by pma on June 06, 2014 - 17:56:
Hi, all,

Congratulations about the new version of 3.2.2, I tried, it works well :)

Still one question of using the different relaxation time periods.

My R1rho RD experiment has different relaxation time periods, I could input all the peaks by the loop.

Then I fit with 'NS 2-site R_1$\scriptstyle \rho$ model', they could also do the fitting and give the results and also a nice fitting of the dispersion curve. Still I did not figure out, which Trelax is it using in the NS model in the case of different relaxation time periods.
Only the last relaxation time period? Then fit as fixed time experiment?

Maybe I am the minority to use such time consuming experiments, so I always have such strange questions ...
Maybe another annoying question for the fix time people:
Another question, does it necessary to check how mono-exponential about their relaxation curve under certain rf-field? If not, how did they make sure they can use the mono-exponential assumption to get R2eff by two points?

Best,

Peixiang



On 05/19/2014 05:49 PM, Edward d'Auvergne wrote:
Hi Peixiang,

Welcome to the relax mailing lists!  The relaxation dispersion
analysis implemented in relax is quite flexible, and the data you have
is supported.  This is well documented in the relax manual which you
should have with your copy of relax (the docs/relax.pdf file).  Have a
look at section 'The R2eff model' in the dispersion chapter of the
manual (http://www.nmr-relax.com/manual/R2eff_model.html),
specifically the 'Variable relaxation period experiments' subsection.

Unfortunately the sample scripts are all for the fixed time dispersion
experiments.  However you could have a look at one of the scripts used
for the test suite in relax:

test_suite/system_tests/scripts/relax_disp/exp_fit.py

This script is run in the test suite to ensue that the data you have
will always be supported.  There are many more scripts in that
directory which you might find interesting.  The 'r1rho_on_res_m61.py'
script also involve an exponential fit with many different relaxation
time periods.


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