Author: bugman
Date: Wed Oct 5 18:41:37 2011
New Revision: 14793
URL: http://svn.gna.org/viewcvs/relax?rev=14793&view=rev
Log:
Added some peak list files in preparation for a system test to catch bug
#18789.
This data comes from the bug report submitted by Elio Cino <ecino att uwo
dott ca> at
https://gna.org/bugs/?18789.
Added:
1.3/test_suite/shared_data/curve_fitting/bug_18789_no_grace_errors/
1.3/test_suite/shared_data/curve_fitting/bug_18789_no_grace_errors/010.xpk
1.3/test_suite/shared_data/curve_fitting/bug_18789_no_grace_errors/040.xpk
1.3/test_suite/shared_data/curve_fitting/bug_18789_no_grace_errors/420.xpk
1.3/test_suite/shared_data/curve_fitting/bug_18789_no_grace_errors/500.xpk
Added:
1.3/test_suite/shared_data/curve_fitting/bug_18789_no_grace_errors/010.xpk
URL:
http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/curve_fitting/bug_18789_no_grace_errors/010.xpk?rev=14793&view=auto
==============================================================================
---
1.3/test_suite/shared_data/curve_fitting/bug_18789_no_grace_errors/010.xpk
(added)
+++
1.3/test_suite/shared_data/curve_fitting/bug_18789_no_grace_errors/010.xpk
Wed Oct 5 18:41:37 2011
@@ -1,0 +1,8 @@
+label dataset sw sf
+1H 15N
+hsqc_010.nv
+4000.0 1822.97094727
+599.619995117 60.7659988403
+1H.L 1H.P 1H.W 1H.B 1H.E 1H.J 1H.U 15N.L 15N.P 15N.W 15N.B 15N.E 15N.J 15N.U
vol int stat comment flag0
+0 {13.HN} 9.48639 0.01764 0.02520 ++ {0.0} {} {13.N} 127.72855 0.22035
0.16922 ++ {0.0} {} 2.2019944191 0.6344 0 {} 0
+1 {67.HN} 9.43386 0.01111 0.01588 ++ {0.0} {} {67.N} 127.65032 0.15565
0.08565 ++ {0.0} {} 2.1026456356 0.5463 0 {} 0
Added:
1.3/test_suite/shared_data/curve_fitting/bug_18789_no_grace_errors/040.xpk
URL:
http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/curve_fitting/bug_18789_no_grace_errors/040.xpk?rev=14793&view=auto
==============================================================================
---
1.3/test_suite/shared_data/curve_fitting/bug_18789_no_grace_errors/040.xpk
(added)
+++
1.3/test_suite/shared_data/curve_fitting/bug_18789_no_grace_errors/040.xpk
Wed Oct 5 18:41:37 2011
@@ -1,0 +1,8 @@
+label dataset sw sf
+1H 15N
+hsqc_040.nv
+4000.0 1822.97094727
+599.619995117 60.7659988403
+1H.L 1H.P 1H.W 1H.B 1H.E 1H.J 1H.U 15N.L 15N.P 15N.W 15N.B 15N.E 15N.J 15N.U
vol int stat comment flag0
+0 {13.HN} 9.48639 0.01764 0.02520 ++ {0.0} {} {13.N} 127.72855 0.22035
0.16922 ++ {0.0} {} 2.0429623127 0.5892 0 {} 0
+1 {67.HN} 9.43386 0.01111 0.01588 ++ {0.0} {} {67.N} 127.65032 0.15565
0.08565 ++ {0.0} {} 1.96131277084 0.5097 0 {} 0
Added:
1.3/test_suite/shared_data/curve_fitting/bug_18789_no_grace_errors/420.xpk
URL:
http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/curve_fitting/bug_18789_no_grace_errors/420.xpk?rev=14793&view=auto
==============================================================================
---
1.3/test_suite/shared_data/curve_fitting/bug_18789_no_grace_errors/420.xpk
(added)
+++
1.3/test_suite/shared_data/curve_fitting/bug_18789_no_grace_errors/420.xpk
Wed Oct 5 18:41:37 2011
@@ -1,0 +1,8 @@
+label dataset sw sf
+1H 15N
+hsqc_420.nv
+4000.0 1822.97094727
+599.619995117 60.7659988403
+1H.L 1H.P 1H.W 1H.B 1H.E 1H.J 1H.U 15N.L 15N.P 15N.W 15N.B 15N.E 15N.J 15N.U
vol int stat comment flag0
+0 {13.HN} 9.48639 0.01764 0.02520 ++ {0.0} {} {13.N} 127.72855 0.22035
0.16922 ++ {0.0} {} 0.911248326302 0.2604 0 {} 0
+1 {67.HN} 9.43386 0.01111 0.01588 ++ {0.0} {} {67.N} 127.65032 0.15565
0.08565 ++ {0.0} {} 0.862437307835 0.2261 0 {} 0
Added:
1.3/test_suite/shared_data/curve_fitting/bug_18789_no_grace_errors/500.xpk
URL:
http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/curve_fitting/bug_18789_no_grace_errors/500.xpk?rev=14793&view=auto
==============================================================================
---
1.3/test_suite/shared_data/curve_fitting/bug_18789_no_grace_errors/500.xpk
(added)
+++
1.3/test_suite/shared_data/curve_fitting/bug_18789_no_grace_errors/500.xpk
Wed Oct 5 18:41:37 2011
@@ -1,0 +1,8 @@
+label dataset sw sf
+1H 15N
+hsqc_500.nv
+4000.0 1822.97094727
+599.619995117 60.7659988403
+1H.L 1H.P 1H.W 1H.B 1H.E 1H.J 1H.U 15N.L 15N.P 15N.W 15N.B 15N.E 15N.J 15N.U
vol int stat comment flag0
+0 {13.HN} 9.48639 0.01764 0.02520 ++ {0.0} {} {13.N} 127.72855 0.22035
0.16922 ++ {0.0} {} 0.762715339661 0.2197 0 {} 0
+1 {67.HN} 9.43386 0.01111 0.01588 ++ {0.0} {} {67.N} 127.65032 0.15565
0.08565 ++ {0.0} {} 0.72598695755 0.1875 0 {} 0
r14793 - in /1.3/test_suite/shared_data/curve_fitting/bug_18789_no_grace_errors: ./ 010.xpk 040.xpk 420.xpk 500.xpk