Hi Troels, The value of R1rho' + Rex calculated by this script, do you know if it has a name? It is the on-resonance component of the relaxation and is equivalent to the data from the 'R1rho - R1' type experiments. But do you know of a base publication which gives it a name? If this 'parameter' has a name and is described in the manual, then it could be implemented as one of the special auto-generated parameters of the dispersion analysis. As it is, your script would function for all dispersion models (http://wiki.nmr-relax.com/Matplotlib_DPL94_R1rho_R2eff). For some models where the different offsets of each state is important this may not be technically correct, but it can still be calculated. It would be worth getting to the bottom of this. I can see that Art Palmer sometimes plots just Rex verses w_eff. See http://dx.doi.org/10.1110/ps.041139505. In that same publication the parameter is defined as: R2 = R1rho' + Rex This is in equation 6, and is plotted in figure 4. Maybe we could just put this equation into the manual, and add R2 as a parameter. What do you think? Regards, Edward On 13 March 2014 19:05, Troels E. Linnet <NO-REPLY.INVALID-ADDRESS@xxxxxxx> wrote:
Follow-up Comment #32, sr #3124 (project relax): Correct graphs of "on-resonance R1rho value with exchange" as function "Effective field in rotating frame" finally produced manually with python matplotlib and accessing the relax data store. The graph is attached as: matplotlib__52_N_R1rho_R2eff_w_eff.png This graph corresponds to: file #20208: Figure2_Kjaergaard_et_al_2013_Off-resonance_R1rho_relaxation_dispersion_experiments_using_the_DPL_model.png The production of this graph was discussed in: http://thread.gmane.org/gmane.science.nmr.relax.devel/5194 The R1rho_r2eff value is never calculated in relax. This value was manually calculated by accessing the data store. The script to produce such a graph is here: http://wiki.nmr-relax.com/Matplotlib_DPL94_R1rho_R2eff (file #20315) _______________________________________________________ Additional Item Attachment: File name: matplotlib__52_N_R1rho_R2eff_w_eff.png Size:42 KB _______________________________________________________ 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 relax-devel@xxxxxxx 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