Author: bugman Date: Fri Jun 7 11:52:06 2013 New Revision: 19938 URL: http://svn.gna.org/viewcvs/relax?rev=19938&view=rev Log: More improvements to the relax_disp.plot_disp_curves user function. The data sets now have labels, and the residuals have errors set to those of the R2eff/R1rho data. Modified: branches/relax_disp/specific_analyses/relax_disp/__init__.py Modified: branches/relax_disp/specific_analyses/relax_disp/__init__.py URL: http://svn.gna.org/viewcvs/relax/branches/relax_disp/specific_analyses/relax_disp/__init__.py?rev=19938&r1=19937&r2=19938&view=diff ============================================================================== --- branches/relax_disp/specific_analyses/relax_disp/__init__.py (original) +++ branches/relax_disp/specific_analyses/relax_disp/__init__.py Fri Jun 7 11:52:06 2013 @@ -644,6 +644,15 @@ # Add a new set for the data at each frequency. data.append([]) + # Add a new label. + if cdp.exp_type in CPMG_EXP: + label = "R\\s2eff\\N" + else: + label = "R\\s1\\xr\\B\\N" + if frq != None: + label += " (%.6f MHz)" % (frq / 1e6) + set_labels.append(label) + # Loop over the dispersion points. for disp_point in loop_point(): # The data key. @@ -666,6 +675,15 @@ # Add a new set for the data at each frequency. data.append([]) + # Add a new label. + if cdp.exp_type in CPMG_EXP: + label = "Back-calculated R\\s2eff\\N" + else: + label = "Back-calculated R\\s1\\xr\\B\\N" + if frq != None: + label += " (%.6f MHz)" % (frq / 1e6) + set_labels.append(label) + # Loop over the dispersion points. for disp_point in loop_point(): # The data key. @@ -687,6 +705,12 @@ # Add a new set for the data at each frequency. data.append([]) + # Add a new label. + label = "Residuals" + if frq != None: + label += " (%.6f MHz)" % (frq / 1e6) + set_labels.append(label) + # Loop over the dispersion points. for disp_point in loop_point(): # The data key. @@ -701,7 +725,8 @@ # Handle the errors. if err: - data[-1][-1].append(None) + err = True + data[-1][-1].append(spin.r2eff_err[key]) # The axis labels. if cdp.exp_type == 'CPMG': @@ -710,7 +735,8 @@ axis_labels = ['\\qSpin-lock field strength (Hz)\\Q', '\\qR\\s1\\xr\\B\\N\\Q (rad.s\\S-1\\N)'] # Write the header. - write_xy_header(sets=len(data), file=file, set_names=set_labels, axis_labels=axis_labels) + title = "Relaxation dispersion plot" + write_xy_header(file=file, title=title, sets=len(data), set_names=set_labels, axis_labels=axis_labels) # Write the data. graph_type = 'xy'