Dear Edward. Would it be possible to implement the calculation of the parameter: w_e ? The Omega_eff (Effective field in the rotating frame) ? http://www.nmr-relax.com/manual/Dispersion_model_summary.html
As seen in the model DPL94 for 2-site off-resonance fast exchange relaxation. http://wiki.nmr-relax.com/DPL94 This would come in handsome for producing .out files with w_e and for the wished plotting feature. Best Troels 2014-02-28 10:33 GMT+01:00 Edward d'Auvergne <[email protected]>: > Either option would be reasonable. I would suggest, for design and > implementation simplicity, to choose the option to modify the current > relax_disp.plot_disp_curves user function. The 2D graphs, whether the > x-axis is the offset or dispersion point (spin-lock field or nu_CPMG > value) are all dispersion curves so it would also make more sense for > the user. You could also look at the grace.write user function for > inspiration. That user function is far more advanced in its options, > and you may have interest in replicating some of that functionality as > well. > > Regards, > > Edward > > > > On 28 February 2014 09:54, Troels Emtekær Linnet <[email protected]> > wrote: >> Dear Edward. >> >> I think I would let you decide where such a function resides best. :-) >> I simply don't have the insight yet to make such decisions. >> >> Best >> Troels >> >> 2014-02-28 9:46 GMT+01:00 Edward d'Auvergne <[email protected]>: >>> Hi, >>> >>> Note that this could be used for CPMG-type data as well, if a user >>> decides to change the hard pulse offset and run multiple experiments. >>> It's very unlikely to ever happen, but if added for R1rho, it could >>> just as easily be added for all data types. >>> >>> Regards, >>> >>> Edward >>> >>> >>> >>> On 28 February 2014 09:43, Edward d'Auvergne <[email protected]> wrote: >>>> Hi, >>>> >>>> I always wanted to add this, but never found the time. For an >>>> implementation, what do you propose? Maybe the >>>> relax_disp.plot_disp_curves user function could modified to allow the >>>> X-axis to be specified. Or maybe a new user function based on >>>> relax_disp.plot_disp_curves could be created. >>>> >>>> Regards, >>>> >>>> Edward >>>> >>>> >>>> >>>> On 28 February 2014 09:39, Troels E. Linnet >>>> <[email protected]> wrote: >>>>> URL: >>>>> <http://gna.org/support/?3124> >>>>> >>>>> Summary: Grace graphs production for R1rho analysis with >>>>> R2_eff as function of Omega_eff >>>>> Project: relax >>>>> Submitted by: tlinnet >>>>> Submitted on: Fri 28 Feb 2014 08:39:58 AM UTC >>>>> Category: None >>>>> Priority: 5 - Normal >>>>> Severity: 2 - Minor >>>>> Status: In Progress >>>>> Assigned to: tlinnet >>>>> Originator Email: >>>>> Open/Closed: Open >>>>> Discussion Lock: Any >>>>> Operating System: None >>>>> >>>>> _______________________________________________________ >>>>> >>>>> Details: >>>>> >>>>> For an auto analysis of R1rho, relax produces graphs with >>>>> >>>>> R1rho (Relaxation rate in the absence of exchange) [rad/s] as function of >>>>> Omega_rf (Spin-lock offset, the frequency of the of RF field) [rad/s]. >>>>> >>>>> Such graphs can be quite crowded, since for a recorded dataset with for >>>>> example a variation of 6 spin-lock offset in ppm, the graphs will contain >>>>> 6 >>>>> legends. >>>>> >>>>> It is suggested to also provide graphs with R2_eff as function of >>>>> Omega_eff >>>>> (Effective field in the rotating frame) [rad/s]. >>>>> >>>>> An example of such a graph is figure 2 in >>>>> http://dx.doi.org/10.1021/bi4001062. >>>>> >>>>> Both types of figures are attached. >>>>> >>>>> >>>>> >>>>> _______________________________________________________ >>>>> >>>>> File Attachments: >>>>> >>>>> >>>>> ------------------------------------------------------- >>>>> Date: Fri 28 Feb 2014 08:39:58 AM UTC Name: disp_52_N.png Size: 13kB >>>>> By: >>>>> tlinnet >>>>> >>>>> <http://gna.org/support/download.php?file_id=20207> >>>>> ------------------------------------------------------- >>>>> Date: Fri 28 Feb 2014 08:39:58 AM UTC Name: >>>>> Figure2_Kjaergaard_et_al_2013_Off-resonance_R1rho_relaxation_dispersion_experiments_using_the_DPL_model.png >>>>> Size: 123kB By: tlinnet >>>>> >>>>> <http://gna.org/support/download.php?file_id=20208> >>>>> >>>>> _______________________________________________________ >>>>> >>>>> Reply to this item at: >>>>> >>>>> <http://gna.org/support/?3124> >>>>> >>>>> _______________________________________________ >>>>> Message sent via/by Gna! >>>>> http://gna.org/ >>>>> >>>>> >>>>> _______________________________________________ >>>>> relax (http://www.nmr-relax.com) >>>>> >>>>> This is the relax-devel mailing list >>>>> [email protected] >>>>> >>>>> 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-devel _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-devel mailing list [email protected] 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-devel
