Author: bugman
Date: Tue Feb 22 15:37:13 2011
New Revision: 12614
URL: http://svn.gna.org/viewcvs/relax?rev=12614&view=rev
Log:
Updated the convert_data_r1.py script for the new R1 PDC data.
Modified:
1.3/test_suite/shared_data/pdc_files/convert_data_r1.py
Modified: 1.3/test_suite/shared_data/pdc_files/convert_data_r1.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/pdc_files/convert_data_r1.py?rev=12614&r1=12613&r2=12614&view=diff
==============================================================================
--- 1.3/test_suite/shared_data/pdc_files/convert_data_r1.py (original)
+++ 1.3/test_suite/shared_data/pdc_files/convert_data_r1.py Tue Feb 22
15:37:13 2011
@@ -10,76 +10,76 @@
# The data - PDC T2, PDC T2 err, PDC scale factor, relax R2, relax R2 err
(MC sim).
data = [
-['Gln', 2, None, None, None, 2.19316068443, 0.0264822775112],
-['Ile', 3, None, None, None, 2.33150942395, 0.0218282475286],
-['Phe', 4, None, None, None, 2.34809773828, 0.0393993956573],
-['Val', 5, None, None, None, 2.24905317514, 0.0190416227806],
-['Lys', 6, None, None, None, 2.27991249993, 0.0073387122964],
-['Thr', 7, None, None, None, 2.21988325334, 0.0289980021014],
-['Leu', 8, None, None, None, 2.23992585719, 0.0394637142884],
-['Thr', 9, None, None, None, 1.96827404586, 0.0285585555608],
-['Gly', 10, None, None, None, 2.08825352037, 0.00856203608884],
-['Lys', 11, None, None, None, 1.99766965295, 0.0154821098023],
-['Thr', 12, None, None, None, 2.16418266589, 0.0589894950385],
-['Ile', 13, None, None, None, 2.27249997894, 0.0323797055027],
-['Thr', 14, None, None, None, 2.19913359459, 0.0261282530191],
-['Leu', 15, None, None, None, 2.27947735732, 0.0804008170395],
-['Glu', 16, None, None, None, 2.08663871613, 0.0742976416989],
-['Val', 17, None, None, None, 2.28454679926, 0.0319478148557],
-['Glu', 18, None, None, None, 2.10794161516, 0.0491390514111],
-['Ser', 20, None, None, None, 2.2432376545, 0.0174075720472],
-['Asp', 21, None, None, None, 2.34905882789, 0.00896916086091],
-['Thr', 22, None, None, None, 2.27492782819, 0.0283784241729],
-['Ile', 23, None, None, None, 2.46692508258, 0.0512139594604],
-['Asn', 25, None, None, None, 2.39550908267, 0.028141856637],
-['Val', 26, None, None, None, 2.13297271051, 0.0738836932379],
-['Lys', 27, None, None, None, 2.36245343286, 0.034473000886],
-['Ala', 28, None, None, None, 2.38481618154, 0.0369276054641],
-['Lys', 29, None, None, None, 2.32688199592, 0.0267154381038],
-['Thr', 30, None, None, None, 2.42020223098, 0.0641345037416],
-['Gln', 31, None, None, None, 2.37198006924, 0.0607157552927],
-['Asp', 32, None, None, None, 2.343030317, 0.0287089229986],
-['Lys', 33, None, None, None, 2.19288519999, 0.0322404521468],
-['Glu', 34, None, None, None, 2.23809730593, 0.016155226898],
-['Gly', 35, None, None, None, 2.24610605696, 0.0166231784999],
-['Ile', 36, None, None, None, 1.99097003714, 0.018556395961],
-['Asp', 39, None, None, None, 2.29368308937, 0.0107946336402],
-['Gln', 40, None, None, None, 2.25465715695, 0.0219579437623],
-['Gln', 41, None, None, None, 2.22439489827, 0.0246838738103],
-['Arg', 42, None, None, None, 2.27979894813, 0.14609662846],
-['Leu', 43, None, None, None, 2.17239195077, 0.0562093749792],
-['Ile', 44, None, None, None, 2.27944810393, 0.0274015962376],
-['Phe', 45, None, None, None, 2.26621382042, 0.0325598012054],
-['Ala', 46, None, None, None, 2.17327103743, 0.0366263114163],
-['Gly', 47, None, None, None, 2.19159971705, 0.0200974396044],
-['Lys', 48, None, None, None, 2.20125816954, 0.0769594227925],
-['Gln', 49, None, None, None, 2.11409184343, 0.0211565921351],
-['Leu', 50, None, None, None, 2.24441747047, 0.0466054926297],
-['Glu', 51, None, None, None, 2.13351495913, 0.0369010861993],
-['Asp', 52, None, None, None, 2.04583349976, 0.0309251585403],
-['Arg', 54, None, None, None, 2.19228267695, 0.0125176652031],
-['Thr', 55, None, None, None, 2.27502074947, 0.0319568936121],
-['Leu', 56, None, None, None, 2.36913113746, 0.0158844775147],
-['Ser', 57, None, None, None, 2.29814478201, 0.0142640516301],
-['Asp', 58, None, None, None, 2.37720483191, 0.0272911357828],
-['Tyr', 59, None, None, None, 2.22553611629, 0.0125933167265],
-['Asn', 60, None, None, None, 2.28459962433, 0.013370924242],
-['Ile', 61, None, None, None, 2.34213728573, 0.0264153868176],
-['Gln', 62, None, None, None, 1.97367886288, 0.0217945020797],
-['Lys', 63, None, None, None, 2.16500024708, 0.0195312534223],
-['Glu', 64, None, None, None, 2.31913930394, 0.0223294049604],
-['Ser', 65, None, None, None, 2.18918681844, 0.00908363177241],
-['Thr', 66, None, None, None, 2.18167008464, 0.0112902195625],
-['Leu', 67, None, None, None, 2.26772345178, 0.0444564014823],
-['His', 68, None, None, None, 2.24680733455, 0.00926065649886],
-['Leu', 69, None, None, None, 2.24851949133, 0.0379125750722],
-['Val', 70, None, None, None, 2.31543911345, 0.0279226422469],
-['Leu', 71, None, None, None, 2.1756894166, 0.00987045835498],
-['Arg', 72, None, None, None, 2.16361975928, 0.0253849160526],
-['Leu', 73, None, None, None, 1.85657597782, 0.0255460422485],
-['Arg', 74, None, None, None, 1.6122677679, 0.0231001217925],
-['Gly', 75, None, None, None, 1.16243924266, 0.023448186193],
-['Gly', 76, None, None, None, 0.763064480891, 0.0030557315479]]
+['Gln', 2, None, None, None, 2.19316607131, 0.0172386232908],
+['Ile', 3, None, None, None, 2.33164219228, 0.0183443518519],
+['Phe', 4, None, None, None, 2.34788508606, 0.0227955267542],
+['Val', 5, None, None, None, 2.24886599821, 0.0180795406122],
+['Lys', 6, None, None, None, 2.2789525024, 0.0177354763781],
+['Thr', 7, None, None, None, 2.22003945867, 0.0163679694532],
+['Leu', 8, None, None, None, 2.23951642467, 0.0254750354788],
+['Thr', 9, None, None, None, 1.96777788367, 0.0352544464578],
+['Gly', 10, None, None, None, 2.0875684322, 0.0153654041759],
+['Lys', 11, None, None, None, 1.99730182405, 0.014531283342],
+['Thr', 12, None, None, None, 2.16405472266, 0.0209402415213],
+['Ile', 13, None, None, None, 2.27243094345, 0.0224280509971],
+['Thr', 14, None, None, None, 2.198955365, 0.0150508562139],
+['Leu', 15, None, None, None, 2.27948967552, 0.020430891379],
+['Glu', 16, None, None, None, 2.08655000221, 0.0131497725671],
+['Val', 17, None, None, None, 2.28438611675, 0.0171771915344],
+['Glu', 18, None, None, None, 2.1078996481, 0.018674617039],
+['Ser', 20, None, None, None, 2.24272715306, 0.0161431258325],
+['Asp', 21, None, None, None, 2.34943133581, 0.013312575129],
+['Thr', 22, None, None, None, 2.27465897388, 0.0207786570301],
+['Ile', 23, None, None, None, 2.46663406087, 0.025490168883],
+['Asn', 25, None, None, None, 2.3952903664, 0.0209840658917],
+['Val', 26, None, None, None, 2.13289047641, 0.0134131139162],
+['Lys', 27, None, None, None, 2.36225502002, 0.0235723466988],
+['Ala', 28, None, None, None, 2.38482408468, 0.0193876962877],
+['Lys', 29, None, None, None, 2.32669819269, 0.0211757913963],
+['Thr', 30, None, None, None, 2.42006170148, 0.0183969142864],
+['Gln', 31, None, None, None, 2.37188620597, 0.0171081419383],
+['Asp', 32, None, None, None, 2.3427764194, 0.0166107892189],
+['Lys', 33, None, None, None, 2.19297823605, 0.0147985959213],
+['Glu', 34, None, None, None, 2.23811997028, 0.0161833329565],
+['Gly', 35, None, None, None, 2.24602961229, 0.0132501633342],
+['Ile', 36, None, None, None, 1.99065803361, 0.0119371117784],
+['Asp', 39, None, None, None, 2.29367747495, 0.0146207658709],
+['Gln', 40, None, None, None, 2.25468879195, 0.0175586127238],
+['Gln', 41, None, None, None, 2.2243295406, 0.0213827058018],
+['Arg', 42, None, None, None, 2.2796886728, 0.0246653917801],
+['Leu', 43, None, None, None, 2.1724471962, 0.0277957833136],
+['Ile', 44, None, None, None, 2.27921078025, 0.0238295262781],
+['Phe', 45, None, None, None, 2.26626119216, 0.0258171858396],
+['Ala', 46, None, None, None, 2.17184851821, 0.0564957968913],
+['Gly', 47, None, None, None, 2.19128895435, 0.0171506431363],
+['Lys', 48, None, None, None, 2.20111526618, 0.0170114668684],
+['Gln', 49, None, None, None, 2.11389708191, 0.0156773151423],
+['Leu', 50, None, None, None, 2.24429960044, 0.0231432887694],
+['Glu', 51, None, None, None, 2.13354406803, 0.0215361108792],
+['Asp', 52, None, None, None, 2.04571765737, 0.0160131880118],
+['Arg', 54, None, None, None, 2.1917972293, 0.0202281839803],
+['Thr', 55, None, None, None, 2.27484080671, 0.0252626224367],
+['Leu', 56, None, None, None, 2.36904770093, 0.0201953638757],
+['Ser', 57, None, None, None, 2.29802420383, 0.0149972198301],
+['Asp', 58, None, None, None, 2.37716007771, 0.0188528192903],
+['Tyr', 59, None, None, None, 2.22585681778, 0.0172777140575],
+['Asn', 60, None, None, None, 2.28458371582, 0.0138771252559],
+['Ile', 61, None, None, None, 2.34178470333, 0.0203630099596],
+['Gln', 62, None, None, None, 1.97357442512, 0.0148163922994],
+['Lys', 63, None, None, None, 2.16487344406, 0.0103478884037],
+['Glu', 64, None, None, None, 2.31904426632, 0.0219686576237],
+['Ser', 65, None, None, None, 2.18920681077, 0.0168659713768],
+['Thr', 66, None, None, None, 2.18126161816, 0.0176501602926],
+['Leu', 67, None, None, None, 2.26758959961, 0.0222025938212],
+['His', 68, None, None, None, 2.2462367181, 0.0233778502267],
+['Leu', 69, None, None, None, 2.24855138308, 0.017041910335],
+['Val', 70, None, None, None, 2.31530066738, 0.0234394434209],
+['Leu', 71, None, None, None, 2.1755953862, 0.0165496117566],
+['Arg', 72, None, None, None, 2.1635257801, 0.0134432394378],
+['Leu', 73, None, None, None, 1.85653927832, 0.0111980399019],
+['Arg', 74, None, None, None, 1.61202380006, 0.0132121863859],
+['Gly', 75, None, None, None, 1.16222624543, 0.0148261890535],
+['Gly', 76, None, None, None, 0.763152015796, 0.00359679040075]]
# Get the data.
in_data = False
r12614 - /1.3/test_suite/shared_data/pdc_files/convert_data_r1.py