r21921 - /trunk/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/ -- December 09, 2013 - 17:49

Author: tlinnet
Date: Mon Dec  9 17:49:50 2013
New Revision: 21921

URL: http://svn.gna.org/viewcvs/relax?rev=21921&view=rev
Log:
Modified analysis script for example data of R1rho.

Work in progress for Support Request #3083, 
(https://gna.org/support/index.php?3083) -  Addition of Data-set for R1rho 
analysis.

Modified:
    
trunk/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/r1rho_1_ini.py
    
trunk/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/r1rho_3_spectra_settings.py
    
trunk/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/r1rho_4_run.py

Modified: 
trunk/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/r1rho_1_ini.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/r1rho_1_ini.py?rev=21921&r1=21920&r2=21921&view=diff
==============================================================================
--- 
trunk/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/r1rho_1_ini.py 
(original)
+++ 
trunk/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/r1rho_1_ini.py 
Mon Dec  9 17:49:50 2013
@@ -11,10 +11,13 @@
 pipe.create(pipe_name=pipe_name, bundle=pipe_bundle, pipe_type='relax_disp')
 
 # Create the spins
-script(file='relax_2_spins.py', dir=None)
+spectrum.read_spins('peaks_corr_final.list')
 
 # Name the isotope for field strength scaling.
 spin.isotope(isotope='15N')
+
+## Read the chemical shift data.
+chemical_shift.read(file='peaks_corr_final.list', dir=None)
 
 # Set the spectra experimental properties/settings.
 script(file='r1rho_3_spectra_settings.py', dir=None)

Modified: 
trunk/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/r1rho_3_spectra_settings.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/r1rho_3_spectra_settings.py?rev=21921&r1=21920&r2=21921&view=diff
==============================================================================
--- 
trunk/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/r1rho_3_spectra_settings.py
 (original)
+++ 
trunk/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/r1rho_3_spectra_settings.py
 Mon Dec  9 17:49:50 2013
@@ -23,9 +23,6 @@
 #gyro15N = 2.7126E7
 
 writefile = open('omega_rf_ppm.txt','w')
-
-## Read the chemical shift data.
-chemical_shift.read(file='peaks_corr_final.list', dir=None)
 
 for i in range(len(expfileslines)):
     line=expfileslines[i]

Modified: 
trunk/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/r1rho_4_run.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/r1rho_4_run.py?rev=21921&r1=21920&r2=21921&view=diff
==============================================================================
--- 
trunk/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/r1rho_4_run.py 
(original)
+++ 
trunk/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/r1rho_4_run.py 
Mon Dec  9 17:49:50 2013
@@ -8,8 +8,12 @@
 import os
 from auto_analyses.relax_disp import Relax_disp
 
+# Setting variables for pipe names.
+pipe_name = 'base pipe'
+pipe_bundle = 'relax_disp'
+
 # The dispersion models.
-MODELS = ['R2eff', 'DPL94']
+MODELS = ['R2eff', 'No Rex', 'DPL94']
 # The grid search size (the number of increments per dimension).
 GRID_INC = 4
 # The number of Monte Carlo simulations to be used for error analysis at the 
end of the analysis.