Author: bugman
Date: Fri May 31 15:38:48 2013
New Revision: 19829
URL: http://svn.gna.org/viewcvs/relax?rev=19829&view=rev
Log:
Fixes for the CPMGFit results in the software comparison table for Hansen's
CPMG data.
Added:
branches/relax_disp/test_suite/shared_data/dispersion/Hansen/cpmgfit_results/README
Modified:
branches/relax_disp/test_suite/shared_data/dispersion/Hansen/software_comparison
Added:
branches/relax_disp/test_suite/shared_data/dispersion/Hansen/cpmgfit_results/README
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/dispersion/Hansen/cpmgfit_results/README?rev=19829&view=auto
==============================================================================
---
branches/relax_disp/test_suite/shared_data/dispersion/Hansen/cpmgfit_results/README
(added)
+++
branches/relax_disp/test_suite/shared_data/dispersion/Hansen/cpmgfit_results/README
Fri May 31 15:38:48 2013
@@ -1,0 +1,5 @@
+To convert the 'CPMG' model parameter Rex to phi_ex, use:
+
+phi_ex = (Rex / tau) / (2.0 * pi * frq / g1H * g15N * 1e-6)**2
+
+where frq is the magnetic field strength in Hz (for the proton Larmor
frequency). There nevertheless seems to be a factor of 2 * 1000 difference.
Modified:
branches/relax_disp/test_suite/shared_data/dispersion/Hansen/software_comparison
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/dispersion/Hansen/software_comparison?rev=19829&r1=19828&r2=19829&view=diff
==============================================================================
---
branches/relax_disp/test_suite/shared_data/dispersion/Hansen/software_comparison
(original)
+++
branches/relax_disp/test_suite/shared_data/dispersion/Hansen/software_comparison
Fri May 31 15:38:48 2013
@@ -7,7 +7,7 @@
Param relax NESSY CPMGFit ShereKhan
R2 (500) 6.806 7.639 6.866 6.806
R2 (800) 6.679 7.387 6.866 6.679
-phi 0.310 0.259 1.226e-13 0.310
+phi 0.310 0.259 1.510e-04 0.310
kex 4763.249 3906.180 2.342 4763.197
tau 4.199e-05 5.120e-05 0.427 4.199e-05
chi2 106.393 156.446 106.471 106.393
@@ -17,10 +17,10 @@
-----------
Param relax NESSY CPMGFit ShereKhan
-R2 (500) 4.926 - 4.9264 4.926
-phi 0.059 - 2.405e-14 0.059
-kex 2544.645 - 2543.882 2544.636
-tau 7.860e-04 - 0.7862 7.860e-04
+R2 (500) 4.926 - 4.926 4.926
+phi 0.059 - 2.963e-05 0.059
+kex 2544.645 - 1.271 2544.636
+tau 7.860e-04 - 0.786 7.860e-04
chi2 1.442 - 1.442 1.442
@@ -49,3 +49,4 @@
dw 2.071 - 0.757 4.461
kex 0.819 - 0.896 1879.618
chi2 2.817 - 1.382 1.379
+
r19829 - in /branches/relax_disp/test_suite/shared_data/dispersion/Hansen: cpmgfit_results/README software_comparison