Author: bugman Date: Mon Oct 28 16:11:08 2013 New Revision: 21285 URL: http://svn.gna.org/viewcvs/relax?rev=21285&view=rev Log: Created an INSIGNIFICANCE variable for the relaxation dispersion sample scripts. This is to allow the user to eliminate insignificant models. Modified: branches/relax_disp/sample_scripts/relax_disp/R1rho_analysis.py branches/relax_disp/sample_scripts/relax_disp/cpmg_analysis.py Modified: branches/relax_disp/sample_scripts/relax_disp/R1rho_analysis.py URL: http://svn.gna.org/viewcvs/relax/branches/relax_disp/sample_scripts/relax_disp/R1rho_analysis.py?rev=21285&r1=21284&r2=21285&view=diff ============================================================================== --- branches/relax_disp/sample_scripts/relax_disp/R1rho_analysis.py (original) +++ branches/relax_disp/sample_scripts/relax_disp/R1rho_analysis.py Mon Oct 28 16:11:08 2013 @@ -41,11 +41,18 @@ # The number of Monte Carlo simulations to be used for error analysis at the end of the analysis. MC_NUM = 500 +# The results directory. +RESULTS_DIR = '.' + # The model selection technique to use. MODSEL = 'AIC' # The flag for only using numeric models in the final model selection. NUMERIC_ONLY = False + +# The R1rho value in rad/s by which to judge insignificance. If the maximum difference between two points on all dispersion curves for a spin is less than this value, that spin will be deselected. +INSIGNIFICANCE = 1.0 + # Set up the data pipe. @@ -137,4 +144,4 @@ ########################## # Do not change! -Relax_disp(pipe_name=pipe_name, pipe_bundle=pipe_bundle, models=MODELS, grid_inc=GRID_INC, mc_sim_num=MC_NUM, modsel=MODSEL, numeric_only=NUMERIC_ONLY) +Relax_disp(pipe_name=pipe_name, pipe_bundle=pipe_bundle, results_dir=RESULTS_DIR, models=MODELS, grid_inc=GRID_INC, mc_sim_num=MC_NUM, modsel=MODSEL, insignificance=INSIGNIFICANCE, numeric_only=NUMERIC_ONLY) Modified: branches/relax_disp/sample_scripts/relax_disp/cpmg_analysis.py URL: http://svn.gna.org/viewcvs/relax/branches/relax_disp/sample_scripts/relax_disp/cpmg_analysis.py?rev=21285&r1=21284&r2=21285&view=diff ============================================================================== --- branches/relax_disp/sample_scripts/relax_disp/cpmg_analysis.py (original) +++ branches/relax_disp/sample_scripts/relax_disp/cpmg_analysis.py Mon Oct 28 16:11:08 2013 @@ -41,11 +41,18 @@ # The number of Monte Carlo simulations to be used for error analysis at the end of the analysis. MC_NUM = 500 +# The results directory. +RESULTS_DIR = '.' + # The model selection technique to use. MODSEL = 'AIC' # The flag for only using numeric models in the final model selection. NUMERIC_ONLY = False + +# The R2eff value in rad/s by which to judge insignificance. If the maximum difference between two points on all dispersion curves for a spin is less than this value, that spin will be deselected. +INSIGNIFICANCE = 1.0 + # Set up the data pipe. @@ -144,4 +151,4 @@ ########################## # Do not change! -Relax_disp(pipe_name=pipe_name, pipe_bundle=pipe_bundle, models=MODELS, grid_inc=GRID_INC, mc_sim_num=MC_NUM, modsel=MODSEL, numeric_only=NUMERIC_ONLY) +Relax_disp(pipe_name=pipe_name, pipe_bundle=pipe_bundle, results_dir=RESULTS_DIR, models=MODELS, grid_inc=GRID_INC, mc_sim_num=MC_NUM, modsel=MODSEL, insignificance=INSIGNIFICANCE, numeric_only=NUMERIC_ONLY)