URL: <http://gna.org/bugs/?23186> Summary: Error calculation of individual parameter "dw" from Monte-Carlo, is based on first spin. Project: relax Submitted by: tlinnet Submitted on: Wed 14 Jan 2015 12:47:37 PM UTC Category: None Specific analysis category: Relaxation dispersion Priority: 7 - High Severity: 4 - Important Status: None Assigned to: None Originator Name: Originator Email: Open/Closed: Open Release: Repository: trunk Discussion Lock: Any Operating System: All systems _______________________________________________________ Details: This was discovered in post: http://thread.gmane.org/gmane.science.nmr.relax.user/1795 The problem is in: specific_analyses.relax_disp/api.sim_return_param() ------------------ # Convert the parameter index. if model_param: param_name, si, mi = param_index_to_param_info(index=index, spins=spins) if not param_name in ['r2eff', 'i0']: si = 0 else: param_name = aux_params[index - total_param_num] si = 0 mi = 0 ............... # Model and auxiliary parameters. else: sim_data = getattr(spins[si], param_name + "_sim") ------------------------------ Since si = 0, it takes dw values from initial spin, and uses this as error for all spins. This is not correct. _______________________________________________________ Reply to this item at: <http://gna.org/bugs/?23186> _______________________________________________ Message sent via/by Gna! http://gna.org/