Author: bugman
Date: Sun Jun 9 18:47:30 2013
New Revision: 19995
URL: http://svn.gna.org/viewcvs/relax?rev=19995&view=rev
Log:
Small changes to the r1rho_on_res_m61b dispersion test data.
One R20 rate has been increased.
Modified:
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/generate.log
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/generate.py
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/nu_1000_time_0.1.list
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/nu_1500_time_0.1.list
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/nu_2000_time_0.1.list
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/nu_2500_time_0.1.list
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/nu_3000_time_0.1.list
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/nu_3500_time_0.1.list
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/nu_4000_time_0.1.list
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/nu_4500_time_0.1.list
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/nu_5000_time_0.1.list
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/nu_5500_time_0.1.list
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/nu_6000_time_0.1.list
Modified:
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/generate.log
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/generate.log?rev=19995&r1=19994&r2=19995&view=diff
==============================================================================
---
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/generate.log
(original)
+++
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/generate.log
Sun Jun 9 18:47:30 2013
@@ -1,7 +1,7 @@
- relax repository checkout r19967
+ relax repository checkout r19992
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/branches/relax_disp
Molecular dynamics by NMR data analysis
@@ -44,9 +44,9 @@
# Setup for 2 spin systems.
i0 = [100000000.0, 20000000.0] # Initial peak intensities.
-times = [0.00, 0.1] # The relaxation delay times in seconds.
+times = [0.0, 0.1] # The relaxation delay times in seconds.
spin_lock = [1000, 1500, 2000, 2500, 3000, 3500, 4000, 4500, 5000, 5500,
6000] # The spin-lock field strengths in Hz.
-r1rho_prime = [2.25, 24.0] # The R1rho' value per spin.
+r1rho_prime = [10.0, 24.0] # The R1rho' value per spin.
pA = 0.95
kex = 2000.0
delta_omega = [1.0, 2.0] # The chemical shift difference in ppm.
Modified:
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/generate.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/generate.py?rev=19995&r1=19994&r2=19995&view=diff
==============================================================================
---
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/generate.py
(original)
+++
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/generate.py
Sun Jun 9 18:47:30 2013
@@ -22,9 +22,9 @@
# Setup for 2 spin systems.
i0 = [100000000.0, 20000000.0] # Initial peak intensities.
-times = [0.00, 0.1] # The relaxation delay times in seconds.
+times = [0.0, 0.1] # The relaxation delay times in seconds.
spin_lock = [1000, 1500, 2000, 2500, 3000, 3500, 4000, 4500, 5000, 5500,
6000] # The spin-lock field strengths in Hz.
-r1rho_prime = [2.25, 24.0] # The R1rho' value per spin.
+r1rho_prime = [10.0, 24.0] # The R1rho' value per spin.
pA = 0.95
kex = 2000.0
delta_omega = [1.0, 2.0] # The chemical shift difference in ppm.
Modified:
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/nu_1000_time_0.1.list
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/nu_1000_time_0.1.list?rev=19995&r1=19994&r2=19995&view=diff
==============================================================================
---
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/nu_1000_time_0.1.list
(original)
+++
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/nu_1000_time_0.1.list
Sun Jun 9 18:47:30 2013
@@ -1,4 +1,4 @@
Assignment w1 w2 Data Height
- Trp1N-HN 122.454 8.397 75681784
+ Trp1N-HN 122.454 8.397 34866884
Trp1NE1-HE1 111.978 8.720 1469024
Modified:
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/nu_1500_time_0.1.list
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/nu_1500_time_0.1.list?rev=19995&r1=19994&r2=19995&view=diff
==============================================================================
---
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/nu_1500_time_0.1.list
(original)
+++
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/nu_1500_time_0.1.list
Sun Jun 9 18:47:30 2013
@@ -1,4 +1,4 @@
Assignment w1 w2 Data Height
- Trp1N-HN 122.454 8.397 77865086
+ Trp1N-HN 122.454 8.397 35872739
Trp1NE1-HE1 111.978 8.720 1641676
Modified:
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/nu_2000_time_0.1.list
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/nu_2000_time_0.1.list?rev=19995&r1=19994&r2=19995&view=diff
==============================================================================
---
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/nu_2000_time_0.1.list
(original)
+++
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/nu_2000_time_0.1.list
Sun Jun 9 18:47:30 2013
@@ -1,4 +1,4 @@
Assignment w1 w2 Data Height
- Trp1N-HN 122.454 8.397 78705384
+ Trp1N-HN 122.454 8.397 36259868
Trp1NE1-HE1 111.978 8.720 1712831
Modified:
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/nu_2500_time_0.1.list
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/nu_2500_time_0.1.list?rev=19995&r1=19994&r2=19995&view=diff
==============================================================================
---
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/nu_2500_time_0.1.list
(original)
+++
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/nu_2500_time_0.1.list
Sun Jun 9 18:47:30 2013
@@ -1,4 +1,4 @@
Assignment w1 w2 Data Height
- Trp1N-HN 122.454 8.397 79109174
+ Trp1N-HN 122.454 8.397 36445895
Trp1NE1-HE1 111.978 8.720 1747998
Modified:
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/nu_3000_time_0.1.list
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/nu_3000_time_0.1.list?rev=19995&r1=19994&r2=19995&view=diff
==============================================================================
---
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/nu_3000_time_0.1.list
(original)
+++
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/nu_3000_time_0.1.list
Sun Jun 9 18:47:30 2013
@@ -1,4 +1,4 @@
Assignment w1 w2 Data Height
- Trp1N-HN 122.454 8.397 79332630
+ Trp1N-HN 122.454 8.397 36548842
Trp1NE1-HE1 111.978 8.720 1767737
Modified:
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/nu_3500_time_0.1.list
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/nu_3500_time_0.1.list?rev=19995&r1=19994&r2=19995&view=diff
==============================================================================
---
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/nu_3500_time_0.1.list
(original)
+++
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/nu_3500_time_0.1.list
Sun Jun 9 18:47:30 2013
@@ -1,4 +1,4 @@
Assignment w1 w2 Data Height
- Trp1N-HN 122.454 8.397 79468799
+ Trp1N-HN 122.454 8.397 36611576
Trp1NE1-HE1 111.978 8.720 1779864
Modified:
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/nu_4000_time_0.1.list
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/nu_4000_time_0.1.list?rev=19995&r1=19994&r2=19995&view=diff
==============================================================================
---
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/nu_4000_time_0.1.list
(original)
+++
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/nu_4000_time_0.1.list
Sun Jun 9 18:47:30 2013
@@ -1,4 +1,4 @@
Assignment w1 w2 Data Height
- Trp1N-HN 122.454 8.397 79557761
+ Trp1N-HN 122.454 8.397 36652561
Trp1NE1-HE1 111.978 8.720 1787827
Modified:
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/nu_4500_time_0.1.list
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/nu_4500_time_0.1.list?rev=19995&r1=19994&r2=19995&view=diff
==============================================================================
---
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/nu_4500_time_0.1.list
(original)
+++
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/nu_4500_time_0.1.list
Sun Jun 9 18:47:30 2013
@@ -1,4 +1,4 @@
Assignment w1 w2 Data Height
- Trp1N-HN 122.454 8.397 79619021
+ Trp1N-HN 122.454 8.397 36680784
Trp1NE1-HE1 111.978 8.720 1793329
Modified:
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/nu_5000_time_0.1.list
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/nu_5000_time_0.1.list?rev=19995&r1=19994&r2=19995&view=diff
==============================================================================
---
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/nu_5000_time_0.1.list
(original)
+++
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/nu_5000_time_0.1.list
Sun Jun 9 18:47:30 2013
@@ -1,4 +1,4 @@
Assignment w1 w2 Data Height
- Trp1N-HN 122.454 8.397 79662974
+ Trp1N-HN 122.454 8.397 36701033
Trp1NE1-HE1 111.978 8.720 1797286
Modified:
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/nu_5500_time_0.1.list
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/nu_5500_time_0.1.list?rev=19995&r1=19994&r2=19995&view=diff
==============================================================================
---
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/nu_5500_time_0.1.list
(original)
+++
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/nu_5500_time_0.1.list
Sun Jun 9 18:47:30 2013
@@ -1,4 +1,4 @@
Assignment w1 w2 Data Height
- Trp1N-HN 122.454 8.397 79695567
+ Trp1N-HN 122.454 8.397 36716049
Trp1NE1-HE1 111.978 8.720 1800225
Modified:
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/nu_6000_time_0.1.list
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/nu_6000_time_0.1.list?rev=19995&r1=19994&r2=19995&view=diff
==============================================================================
---
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/nu_6000_time_0.1.list
(original)
+++
branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/nu_6000_time_0.1.list
Sun Jun 9 18:47:30 2013
@@ -1,4 +1,4 @@
Assignment w1 w2 Data Height
- Trp1N-HN 122.454 8.397 79720398
+ Trp1N-HN 122.454 8.397 36727489
Trp1NE1-HE1 111.978 8.720 1802467
r19995 - /branches/relax_disp/test_suite/shared_data/dispersion/r1rho_on_res_m61b/