Author: bugman
Date: Fri Dec 12 10:47:28 2008
New Revision: 8204
URL: http://svn.gna.org/viewcvs/relax?rev=8204&view=rev
Log:
Added some lactose RDC and PCS data. Note this is randomised and truncated
for protection!!!
Added:
1.3/test_suite/shared_data/align_data/pcs.txt (with props)
1.3/test_suite/shared_data/align_data/pcs_err.txt (with props)
1.3/test_suite/shared_data/align_data/rdc.txt (with props)
1.3/test_suite/shared_data/align_data/rdc_err.txt (with props)
Added: 1.3/test_suite/shared_data/align_data/pcs.txt
URL:
http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/align_data/pcs.txt?rev=8204&view=auto
==============================================================================
--- 1.3/test_suite/shared_data/align_data/pcs.txt (added)
+++ 1.3/test_suite/shared_data/align_data/pcs.txt Fri Dec 12 10:47:28 2008
@@ -1,0 +1,28 @@
+Name Dy Tb Tm E
+C1 0.004 0.040 0.100 0.037
+C2 0.008 0.045 0.080 0.045
+C3 0.021 0.050 0.090 0.018
+C4 0.029 0.014 0.100 0.054
+C5 0.016 0.013 0.110 0.030
+C6 0.010 0.021 0.120 0.038
+H1 0.008 0.045 0.080 0.041
+H2 0.003 0.060 0.100 0.044
+H3 0.006 0.012 0.100 0.041
+H4 0.003 0.007 0.110 0.045
+H5 0.007 0.011 0.110 0.039
+H6 0.005 0.017 0.110 0.019
+H7 0.001 0.048 0.110 0.061
+
+C7 0.070 0.102 0.330 0.138
+C8 None None None None
+C9 0.025 0.096 0.150 0.035
+C10 0.098 0.133 0.130 0.084
+C11 0.054 0.090 0.110 0.148
+C12 0.075 0.097 0.080 0.065
+H12 0.065 0.070 0.340 0.186
+H13 None None None None
+H14 0.070 0.080 0.130 0.054
+H15 0.015 0.139 0.090 0.051
+H16 0.098 0.107 0.110 0.126
+H17 0.060 0.012 0.040 0.044
+H18 0.120 0.098 0.060 0.067
Propchange: 1.3/test_suite/shared_data/align_data/pcs.txt
------------------------------------------------------------------------------
svn:eol-style = native
Added: 1.3/test_suite/shared_data/align_data/pcs_err.txt
URL:
http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/align_data/pcs_err.txt?rev=8204&view=auto
==============================================================================
--- 1.3/test_suite/shared_data/align_data/pcs_err.txt (added)
+++ 1.3/test_suite/shared_data/align_data/pcs_err.txt Fri Dec 12 10:47:28 2008
@@ -1,0 +1,27 @@
+Atom Dy Tb Tm
Er
+H1 0.00017778978794241471 0.00020909584759850369 7.88347403825711e-05
0.00026363071804653775
+H2 0.00015135068429266831 0.00010896251439994929
0.00010397661534864064 0.00037323554231773827
+H3 0.00020797864504014244 0.00017137432686588103
0.00015997346046683463 0.00027037046207674463
+H4 0.00020276241174859957 0.00012786981481324942
4.6992945023528094e-05 0.00013839153343226607
+H5 0.00034778529313553893 0.00017099391023252505
0.00010212687818285059 0.00024421931457068233
+H6 8.2984931422441823e-05 0.00017522620646163902
0.00010607588822571693 0.00026201842088650581
+H7 0.00010017179113824194 0.00015070825280104382
9.250513134711348e-05 0.00023425764232047131
+H12 0.00017534945642113333 0.0004723833548709197
0.0003584385608796603 0.0012827737216154519
+H13 None None None
None
+H14 0.0001292278187421697 0.00042824125096591986
0.00020065625478021145 0.00065267599516975934
+H15 8.6414239781324438e-05 0.00055727316703948072
0.00029062904194882553 0.00069250004623757093
+H16 0.00020917646018325309 0.00034159773355283752
0.00034367813211043803 0.00068492443136791595
+H17 0.00016599961321265026 0.00061191350361692719
0.00057330655143648403 0.00089780561448577075
+H18 9.3709644137822542e-05 0.00061258395032639666
0.00059081878487742792 0.00089826270193686794
+C1 0.0027995800090483279 0.0035867942444225628 0.002890469259295079
0.0059587597071928244
+C2 0.0037804630925960267 0.0052242363883850838
0.0038473214927638557 0.0061520840442458877
+C3 0.003571722320920556 0.0042460704262602999 0.00365755061438697
0.0055139443119052939
+C4 0.0018583954132912804 0.0023382635620685295
0.0019566123029690391 0.0035910151000329727
+C5 0.0032159663584842035 0.0043164584645877602
0.0031746053298432443 0.005617493837454109
+C6 0.004425016333703403 0.0050369982869787888
0.0043074612521690524 0.0057772908894740448
+C7 0.0060733897939634135 0.016515466380829489
0.0066439787300633414 0.03127936287879185
+C8 None None None
None
+C9 0.0060934892029100886 0.0088789978213056498
0.0076714889250797469 0.014180642811627134
+C10 0.0076489947737231195 0.01614269398188237
0.0079337984795966685 0.018942936320677638
+C11 0.0068460450582700913 0.012373158295669248
0.0093811873163270783 0.018141050489144255
+C12 0.0054841706015825616 0.010681758654949528
0.0056083276220802213 0.01916102150913597
Propchange: 1.3/test_suite/shared_data/align_data/pcs_err.txt
------------------------------------------------------------------------------
svn:eol-style = native
Added: 1.3/test_suite/shared_data/align_data/rdc.txt
URL:
http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/align_data/rdc.txt?rev=8204&view=auto
==============================================================================
--- 1.3/test_suite/shared_data/align_data/rdc.txt (added)
+++ 1.3/test_suite/shared_data/align_data/rdc.txt Fri Dec 12 10:47:28 2008
@@ -1,0 +1,15 @@
+C1 H1 0.00 -0.30 1.70 1.10
+C2 H2 -2.30 -4.20 4.30 3.30
+C3 H3 -2.00 -3.90 3.10 3.80
+C4 H4 0.10 0.00 1.80 1.00
+C5 H5 -2.20 -2.90 4.30 3.00
+C6 H6 -1.20 1.20 -1.50 1.80
+C6 H7 -0.50 -0.60 3.10 0.40
+
+C7 H12 -0.10 -0.60 2.80 -0.40
+C8 H13 None None None None
+C9 H14 -2.70 -3.80 3.00 -3.10
+C10 H15 -2.70 -5.40 2.90 -2.60
+C11 H16 -3.50 -3.90 2.40 -3.20
+C12 H17 None None -10.60 None
+C12 H18 -2.10 -1.20 None None
Propchange: 1.3/test_suite/shared_data/align_data/rdc.txt
------------------------------------------------------------------------------
svn:eol-style = native
Added: 1.3/test_suite/shared_data/align_data/rdc_err.txt
URL:
http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/align_data/rdc_err.txt?rev=8204&view=auto
==============================================================================
--- 1.3/test_suite/shared_data/align_data/rdc_err.txt (added)
+++ 1.3/test_suite/shared_data/align_data/rdc_err.txt Fri Dec 12 10:47:28 2008
@@ -1,0 +1,15 @@
+C H Dy Tb Tm
Er
+C1 H1 0.32002695198998476 0.37637879855273459
0.14190489773083945 0.47454320140530937
+C2 H2 0.27243577224733173 0.19613579479534071
0.18716102692601361 0.67183517323819841
+C3 H3 0.37436780043160761 0.30847892958839185
0.28795702804411633 0.48667494285200263
+C4 H4 0.36497842401983166 0.23016950275829334
0.084588710830701269 0.24910891192408191
+C5 H5 0.62602396120276416 0.30779416823585204
0.18383144453547656 0.43960209280666535
+C6 H6 0.14937536610833796 0.31541242841714406
0.19093978108293724 0.47164101814833709
+C6 H7 0.18031222920256965 0.27127937628946291
0.16651201157874468 0.42167078390611795
+C7 H12 0.31563428204173261 0.85030421026830161
0.64520016274021497 2.3090311821194618
+C8 H13 None None None
None
+C9 H14 0.23261395057046771 0.77084709897618475
0.36118727829202402 1.174836371585422
+C10 H15 0.15554822403357743 1.0031084188660764
0.52314099437914441 1.2465208582290148
+C11 H16 0.37652390362366106 0.61488616832711407
0.61863094814275177 1.2328845241951898
+C12 H17 0.29880428377116686 1.1014626639155773
1.0319689917822144 1.6160770402428219
+C12 H18 0.16868017073740471 1.1026694881060237
1.0634915373429166 1.6168998113674204
Propchange: 1.3/test_suite/shared_data/align_data/rdc_err.txt
------------------------------------------------------------------------------
svn:eol-style = native
r8204 - in /1.3/test_suite/shared_data/align_data: pcs.txt pcs_err.txt rdc.txt rdc_err.txt