Ok, I found it. Knowing that the file is the per spin system dispersion curve graphs, I looked into the specific_analyses.relax_disp.disp_data.plot_disp_curves() function. There I found that the check for CPMG-type data for the axis labels was incorrect. The earlier checks for the data set labels were however correct. I just needed to know the location of the problem and the fix was easy.
Regards, Edward On 4 September 2013 10:34, Troels Emtekær Linnet <[email protected]> wrote: > Hi Edward. > > The line is: > @ yaxis label "\qR\s1\xr\B\N\Q (rad.s\S-1\N)" > > which is the same for all residues: > example: disp_3_N.agr > for all model folders. > > > > > > Troels Emtekær Linnet > > > 2013/9/4 Edward d'Auvergne <[email protected]>: >> Hi, >> >> The 'r2a' parameter is defined with: >> >> self.PARAMS.add('r2a', scope='spin', default=15.0, desc='The >> transversal relaxation rate for state A in the absence of exchange', >> set='params', py_type=list, grace_string='\\qR\\s2,A\\N\\Q >> (rad.s\\S-1\\N)', err=True, sim=True) >> >> Can you open the Grace file in a text editor and find this R1rho text >> and copy the line here? If you look in all of the parameter >> definitions, there is R1rho defined. For the R1rho-type experiments >> the relaxation in the absence of exchange, R1rho', is simply stored as >> and reported as R2, just as in the CPMG-type experiments. Could you >> name the files affected and the directories they are located in? This >> is very confusing. >> >> Regards, >> >> Edward >> >> >> >> >> On 4 September 2013 09:16, Troels Emtekær Linnet <[email protected]> wrote: >>> I made this analysis: >>> >>> The state 'ini_setup.bz2' is after the setup of reading intensities >>> and making spectra settings. >>> >>> In the the ''TSMFK01', model I have used the r2a parameter. >>> Is this reserved for R1rho ? >>> >>> The "funny" thing is, that when I look in the folder for the other >>> models (parameter r2), the graph still is R1rho. >>> Is there a switch somewhere? >>> >>> Best >>> Troels >>> >>> --------------- >>> import os >>> from auto_analyses.relax_disp import Relax_disp >>> >>> # Load the initial state setup >>> state.load(state='ini_setup.bz2') >>> >>> # Set settings for run. >>> results_directory = os.path.join(os.getcwd(),"model_sel_analyt") >>> pipe_name = 'base pipe'; pipe_bundle = 'relax_disp' >>> MODELS = ['R2eff', 'No Rex', 'TSMFK01', 'LM63', 'CR72', 'CR72 full', 'IT99'] >>> GRID_INC = 21; MC_NUM = 10; MODSEL = 'AIC' >>> >>> # Execute >>> Relax_disp(pipe_name=pipe_name, pipe_bundle=pipe_bundle, >>> results_dir=results_directory, models=MODELS, grid_inc=GRID_INC, >>> mc_sim_num=MC_NUM, modsel=MODSEL) >>> ------------ >>> >>> Troels Emtekær Linnet >>> >>> >>> 2013/9/4 Edward d'Auvergne <[email protected]>: >>>> Hi, >>>> >>>> That's quite strange. According to the parameter definitions in >>>> specific_analyses.relax_disp.api: >>>> >>>> self.PARAMS.add('r2', scope='spin', default=15.0, desc='The >>>> transversal relaxation rate', set='params', py_type=list, >>>> grace_string='\\qR\\s2\\N\\Q (rad.s\\S-1\\N)', err=True, sim=True) >>>> >>>> That Grace string should simply produce R_2. In which context do you see >>>> this? >>>> >>>> Regards, >>>> >>>> Edward >>>> >>>> >>>> On 4 September 2013 08:37, Troels Emtekær Linnet <[email protected]> wrote: >>>>> Hi. >>>>> >>>>> I noticed that the Y-axis for the graph result of residue files denotes >>>>> R1rho. >>>>> >>>>> Should the Y-axis not be labelled R_2^{eff} ?? >>>>> >>>>> Best >>>>> Troels Emtekær Linnet >>>>> >>>>> _______________________________________________ >>>>> 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
