Author: tlinnet
Date: Wed Mar 5 16:34:48 2014
New Revision: 22401
URL: http://svn.gna.org/viewcvs/relax?rev=22401&view=rev
Log:
Added fitted R1 values from paper to systemtest
Relax_disp.test_r1rho_kjaergaard.
Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace graphs
production for R1rho analysis with R2_eff as function of Omega_eff.
This will be used to test the output of calculating Omega_eff, as stated in
http://article.gmane.org/gmane.science.nmr.relax.devel/5148.
Added:
trunk/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/R1_fitted_values.txt
Added:
trunk/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/R1_fitted_values.txt
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/R1_fitted_values.txt?rev=22401&view=auto
==============================================================================
---
trunk/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/R1_fitted_values.txt
(added)
+++
trunk/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/R1_fitted_values.txt
Wed Mar 5 16:34:48 2014
@@ -0,0 +1,35 @@
+# Paper # reference values
+# Resi Resn R1 R1err R2 R2err kEX
kEXerr phi phierr
+# ref = dict()
+# ref[':13@N'] = [13, 'L13N-HN', 1.32394, 0.14687, 8.16007, 1.01237,
13193.82986, 2307.09152, 58703.06446, 22413.09854]
+# ref[':15@N'] = [15, 'R15N-HN', 1.34428, 0.14056, 7.83256, 0.67559,
13193.82986, 2307.09152, 28688.33492, 13480.72253]
+# ref[':16@N'] = [16, 'T16N-HN', 1.71514, 0.13651, 17.44216, 0.98583,
13193.82986, 2307.09152, 57356.77617, 21892.44205]
+# ref[':25@N'] = [25, 'Q25N-HN', 1.82412, 0.15809, 9.09447, 2.09215,
13193.82986, 2307.09152, 143111.13431, 49535.80302]
+# ref[':26@N'] = [26, 'Q26N-HN', 1.45746, 0.14127, 10.22801, 0.67116,
13193.82986, 2307.09152, 28187.06876, 13359.01615]
+# ref[':28@N'] = [28, 'Q28N-HN', 1.48095, 0.14231, 10.33552, 0.691,
13193.82986, 2307.09152, 30088.0686, 13920.25654]
+# ref[':39@N'] = [39, 'L39N-HN', 1.46094, 0.14514, 8.02194, 0.84649,
13193.82986, 2307.09152, 44130.18538, 18104.55064]
+# ref[':40@N'] = [40, 'M40N-HN', 1.21381, 0.14035, 12.19112, 0.81418,
13193.82986, 2307.09152, 41834.90493, 17319.92156]
+# ref[':41@N'] = [41, 'A41N-HN', 1.29296, 0.14286, 9.29941, 0.66246,
13193.82986, 2307.09152, 26694.8921, 13080.66782]
+# ref[':43@N'] = [43, 'F43N-HN', 1.33626, 0.14352, 12.73816, 1.17386,
13193.82986, 2307.09152, 70347.63797, 26648.30524]
+# ref[':44@N'] = [44, 'I44N-HN', 1.28487, 0.1462, 12.70158, 1.52079,
13193.82986, 2307.09152, 95616.20461, 35307.79817]
+# ref[':45@N'] = [45, 'K45N-HN', 1.59227, 0.14591, 9.54457, 0.95596,
13193.82986, 2307.09152, 53849.7826, 21009.89973]
+# ref[':49@N'] = [49, 'A49N-HN', 1.38521, 0.14148, 4.44842, 0.88647,
13193.82986, 2307.09152, 40686.65286, 18501.20774]
+# ref[':52@N'] = [52, 'V52N-HN', 1.57531, 0.15042, 6.51945, 1.43418,
13193.82986, 2307.09152, 93499.92172, 33233.23039]
+# ref[':53@N'] = [53, 'A53N-HN', 1.27214, 0.13823, 4.0705, 0.85485,
13193.82986, 2307.09152, 34856.18636, 17505.02393]
+#
+# mol_name res_num res_name spin_num spin_name value error
+None 13 L None N 1.323940 0.146870
+None 15 R None N 1.344280 0.140560
+None 16 T None N 1.715140 0.136510
+None 25 Q None N 1.824120 0.158090
+None 26 Q None N 1.457460 0.141270
+None 28 Q None N 1.480950 0.142310
+None 39 L None N 1.460940 0.145140
+None 40 M None N 1.213810 0.140350
+None 41 A None N 1.292960 0.142860
+None 43 F None N 1.336260 0.143520
+None 44 I None N 1.284870 0.146200
+None 45 K None N 1.592270 0.145910
+None 49 A None N 1.385210 0.141480
+None 52 V None N 1.575310 0.150420
+None 53 A None N 1.272140 0.138230
r22401 - /trunk/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/R1_fitted_values.txt