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. You could also try using the relax graphical user interface (GUI) by running: $ relax -g Here you simply load the peak list data via the 'Add' button in the 'Spectra list' GUI element and, when you reach the relaxation time wizard page, simply specify different times for the different spectra - relax will handle the rest. Have a look at http://www.nmr-relax.com/manual/Dispersion_GUI_mode_loading_data.html (the GUI section of the dispersion chapter). The GUI should be much easier to use than the script UI, though a lot less flexible if you wish to perform custom, non-standard analyses. Regards, Edward On 19 May 2014 16:25, pma <peixiang...@ibs.fr> wrote: > Hi, all, > > Did anybody manage to fit the R1rho relaxation dispersion from some > calculated R2 data (e.g. I fitted the different relax_delay time to extract > R1rho, then calculate R2 = R1rho/sin^2 - R1/tan^2 ) > > I found a tutorial on wiki, but it stopped after processing the spectra, > actually I finished this part already. Besides,in the manual for R1rho calc > (page 173 in the manual) in the R2eff model, it defined > R1rho(w1)=-1/T*ln(I1(w1)/I0), e.g. it assume the mono-dispersion between > time 0 and a fix time point. We did a bit different, we recorded a series of > time points and got the R1rho for each w1. > > Now I have all the R2s, I want to use the implemented R1rho models to fit my > data. > > I think relax should be possible to do the fitting with custom calculated > R2, what kind of format should I use? Can anyone show an example of import > file and the processing scripts? Then I could reformat my data to the > template format. > > Now my data looks like the following: for each RF_frq the R2 has such format > > res_num w1(Hz) value error > 1 1200 30.7734534261 2.68087025208 > 1 2000 23.0503960923 1.53567705225 > ................... > > > Thanks a lot! > > Peixiang > > On 05/16/2014 02:18 PM, relax-users-requ...@gna.org wrote: >> >> Welcome to the relax-users@gna.org mailing list! >> >> To post to this list, send your message to: >> >> relax-users@gna.org >> > > _______________________________________________ > relax (http://www.nmr-relax.com) > > This is the relax-users mailing list > relax-users@gna.org > > To unsubscribe from this list, get a password > reminder, or change your subscription options, > visit the list information page at > https://mail.gna.org/listinfo/relax-users _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-users mailing list relax-users@gna.org To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-users
