#### G N O M --- Version 4.5a revised 09/02/02 #### Tue Jun 6 19:35:44 2006 === Run No 1 === Run title: 19-May-2006 (cal_020.dat - 1.000 *Avrag06.dat) / 4.9170 Number of points omitted at the beginning: 16 To optimize the performance, some input data points have been joined. New number of points equals to 512 ******* Input file(s) : aldolase_020.dat Condition P(rmin) = 0 is used. Condition P(rmax) = 0 is used. Highest ALPHA is found to be 0.1019E+03 The measure of inconsistency AN1 equals to 0.1564E+01 Warning: using the chosen range in the real space it is not possible to fit the data set within the given error band. Alpha Discrp Oscill Stabil Sysdev Positv Valcen Total 0.1019E+06 94.5200 1.1183 0.4635 0.1722 1.0000 0.8975 0.40193 0.2038E+05 39.3594 1.1162 0.2163 0.1644 1.0000 0.9261 0.42295 0.4077E+04 11.3646 1.1412 0.0615 0.3679 1.0000 0.9404 0.60721 0.8154E+03 2.9248 1.1673 0.0168 0.6497 1.0000 0.9460 0.65865 0.1631E+03 1.0428 1.1794 0.0044 0.8845 1.0000 0.9477 0.78360 0.3262E+02 0.8265 1.1832 0.0017 0.9080 1.0000 0.9480 0.87052 0.6523E+01 0.8064 1.1853 0.0014 0.9002 1.0000 0.9481 0.86027 0.1305E+01 0.7983 1.1922 0.0050 0.8611 1.0000 0.9480 0.80064 0.2609E+00 0.7832 1.2544 0.0108 0.8767 1.0000 0.9477 0.81276 0.5219E-01 0.7695 1.4797 0.0214 0.8689 1.0000 0.9472 0.73106 0.1044E-01 0.7550 2.3834 0.0553 0.8924 0.9996 0.9457 0.56366 0.2087E-02 0.7429 4.1827 0.0516 0.9002 0.9976 0.9400 0.58075 0.4175E-03 0.7385 6.2229 0.1310 0.9002 0.9929 0.9303 0.44721 0.8350E-04 0.7349 10.7808 0.1875 0.9002 0.9777 0.8926 0.37594 0.1670E-04 0.7334 14.6664 0.1557 0.9159 0.9567 0.8165 0.00000 *** Golden section search to maximize estimate *** Alpha Discrp Oscill Stabil Sysdev Positv Valcen Total 0.6031E+02 0.8568 1.1822 0.0022 0.9315 1.0000 0.9480 0.90581 0.8819E+02 0.8968 1.1813 0.0027 0.9237 1.0000 0.9479 0.88298 0.4769E+02 0.8418 1.1826 0.0019 0.9159 1.0000 0.9480 0.88142 0.6973E+02 0.8693 1.1819 0.0023 0.9237 1.0000 0.9479 0.88936 0.5514E+02 0.8504 1.1823 0.0021 0.9237 1.0000 0.9480 0.89354 0.6375E+02 0.8613 1.1820 0.0022 0.9237 1.0000 0.9480 0.89117 0.5828E+02 0.8543 1.1822 0.0021 0.9237 1.0000 0.9480 0.89271 0.6160E+02 0.8585 1.1821 0.0022 0.9315 1.0000 0.9480 0.90545 0.5953E+02 0.8559 1.1822 0.0021 0.9237 1.0000 0.9480 0.89237 0.6080E+02 0.8575 1.1821 0.0022 0.9315 1.0000 0.9480 0.90568 0.6001E+02 0.8565 1.1822 0.0021 0.9315 1.0000 0.9480 0.90590 0.5983E+02 0.8562 1.1822 0.0021 0.9237 1.0000 0.9480 0.89228 0.6001E+02 0.8565 1.1822 0.0021 0.9315 1.0000 0.9480 0.90590 #### Final results #### Parameter DISCRP OSCILL STABIL SYSDEV POSITV VALCEN Weight 1.000 3.000 3.000 3.000 1.000 1.000 Sigma 0.300 0.600 0.120 0.120 0.120 0.120 Ideal 0.700 1.100 0.000 1.000 1.000 0.950 Current 0.856 1.182 0.002 0.932 1.000 0.948 - - - - - - - - - - - - - - - - - - - - - - - - - Estimate 0.762 0.981 1.000 0.722 1.000 1.000 Angular range : from 0.2421 to 4.9117 Real space range : from 0.00 to 10.50 Highest ALPHA (theor) : 0.102E+06 JOB = 0 Current ALPHA : 0.600E+02 Rg : 0.355E+01 I(0) : 0.382E+03 Total estimate : 0.906 which is AN EXCELLENT solution S J EXP ERROR J REG I REG 0.0000E+00 0.3819E+03 0.9311E-02 0.3818E+03 0.1862E-01 0.3814E+03 0.2793E-01 0.3807E+03 0.3724E-01 0.3797E+03 0.4656E-01 0.3785E+03 0.5587E-01 0.3770E+03 0.6518E-01 0.3752E+03 0.7449E-01 0.3731E+03 0.8380E-01 0.3708E+03 0.9311E-01 0.3683E+03 0.1024E+00 0.3655E+03 0.1117E+00 0.3624E+03 0.1210E+00 0.3592E+03 0.1304E+00 0.3556E+03 0.1397E+00 0.3519E+03 0.1490E+00 0.3479E+03 0.1583E+00 0.3438E+03 0.1676E+00 0.3394E+03 0.1769E+00 0.3349E+03 0.1862E+00 0.3301E+03 0.1955E+00 0.3252E+03 0.2048E+00 0.3201E+03 0.2142E+00 0.3149E+03 0.2235E+00 0.3095E+03 0.2328E+00 0.3040E+03 0.2421E+00 0.3009E+03 0.5320E+00 0.2984E+03 0.2984E+03 0.2512E+00 0.2938E+03 0.5016E+00 0.2927E+03 0.2927E+03 0.2604E+00 0.2873E+03 0.4784E+00 0.2870E+03 0.2870E+03 0.2695E+00 0.2833E+03 0.4539E+00 0.2812E+03 0.2812E+03 0.2786E+00 0.2771E+03 0.4343E+00 0.2753E+03 0.2753E+03 0.2878E+00 0.2692E+03 0.4151E+00 0.2693E+03 0.2693E+03 0.2969E+00 0.2635E+03 0.3977E+00 0.2632E+03 0.2632E+03 0.3061E+00 0.2578E+03 0.3829E+00 0.2571E+03 0.2571E+03 0.3152E+00 0.2508E+03 0.3690E+00 0.2510E+03 0.2510E+03 0.3243E+00 0.2449E+03 0.3542E+00 0.2448E+03 0.2448E+03 0.3335E+00 0.2376E+03 0.3425E+00 0.2386E+03 0.2386E+03 0.3426E+00 0.2324E+03 0.3325E+00 0.2324E+03 0.2324E+03 0.3517E+00 0.2268E+03 0.3202E+00 0.2262E+03 0.2262E+03 0.3609E+00 0.2207E+03 0.3112E+00 0.2199E+03 0.2199E+03 0.3700E+00 0.2135E+03 0.3018E+00 0.2137E+03 0.2137E+03 0.3792E+00 0.2072E+03 0.2919E+00 0.2075E+03 0.2075E+03 0.3883E+00 0.2014E+03 0.2840E+00 0.2014E+03 0.2014E+03 0.3974E+00 0.1944E+03 0.2762E+00 0.1953E+03 0.1953E+03 0.4066E+00 0.1892E+03 0.2680E+00 0.1892E+03 0.1892E+03 0.4157E+00 0.1832E+03 0.2616E+00 0.1832E+03 0.1832E+03 0.4249E+00 0.1767E+03 0.2544E+00 0.1772E+03 0.1772E+03 0.4340E+00 0.1716E+03 0.2476E+00 0.1713E+03 0.1713E+03 0.4431E+00 0.1657E+03 0.2420E+00 0.1655E+03 0.1655E+03 0.4523E+00 0.1600E+03 0.2356E+00 0.1598E+03 0.1598E+03 0.4614E+00 0.1538E+03 0.2294E+00 0.1541E+03 0.1541E+03 0.4705E+00 0.1486E+03 0.2244E+00 0.1486E+03 0.1486E+03 0.4797E+00 0.1426E+03 0.2185E+00 0.1431E+03 0.1431E+03 0.4888E+00 0.1380E+03 0.2129E+00 0.1377E+03 0.1377E+03 0.4980E+00 0.1328E+03 0.2090E+00 0.1324E+03 0.1324E+03 0.5071E+00 0.1274E+03 0.2033E+00 0.1273E+03 0.1273E+03 0.5162E+00 0.1223E+03 0.1989E+00 0.1222E+03 0.1222E+03 0.5254E+00 0.1175E+03 0.1950E+00 0.1173E+03 0.1173E+03 0.5345E+00 0.1122E+03 0.1898E+00 0.1125E+03 0.1125E+03 0.5436E+00 0.1077E+03 0.1856E+00 0.1078E+03 0.1078E+03 0.5528E+00 0.1035E+03 0.1823E+00 0.1032E+03 0.1032E+03 0.5619E+00 0.9910E+02 0.1780E+00 0.9880E+02 0.9880E+02 0.5711E+00 0.9506E+02 0.1743E+00 0.9449E+02 0.9449E+02 0.5802E+00 0.9059E+02 0.1707E+00 0.9030E+02 0.9030E+02 0.5893E+00 0.8662E+02 0.1668E+00 0.8624E+02 0.8624E+02 0.5985E+00 0.8262E+02 0.1635E+00 0.8231E+02 0.8231E+02 0.6076E+00 0.7875E+02 0.1604E+00 0.7851E+02 0.7851E+02 0.6168E+00 0.7402E+02 0.1565E+00 0.7484E+02 0.7484E+02 0.6259E+00 0.7116E+02 0.1540E+00 0.7130E+02 0.7130E+02 0.6350E+00 0.6777E+02 0.1513E+00 0.6788E+02 0.6788E+02 0.6442E+00 0.6491E+02 0.1480E+00 0.6460E+02 0.6460E+02 0.6533E+00 0.6115E+02 0.1451E+00 0.6144E+02 0.6144E+02 0.6624E+00 0.5846E+02 0.1428E+00 0.5840E+02 0.5840E+02 0.6716E+00 0.5543E+02 0.1396E+00 0.5549E+02 0.5549E+02 0.6807E+00 0.5296E+02 0.1377E+00 0.5270E+02 0.5270E+02 0.6899E+00 0.4978E+02 0.1350E+00 0.5003E+02 0.5003E+02 0.6990E+00 0.4791E+02 0.1327E+00 0.4748E+02 0.4748E+02 0.7081E+00 0.4505E+02 0.1302E+00 0.4504E+02 0.4504E+02 0.7173E+00 0.4293E+02 0.1284E+00 0.4271E+02 0.4271E+02 0.7264E+00 0.4064E+02 0.1259E+00 0.4050E+02 0.4050E+02 0.7356E+00 0.3827E+02 0.1239E+00 0.3839E+02 0.3839E+02 0.7447E+00 0.3621E+02 0.1221E+00 0.3639E+02 0.3639E+02 0.7538E+00 0.3466E+02 0.1200E+00 0.3449E+02 0.3449E+02 0.7630E+00 0.3285E+02 0.1186E+00 0.3268E+02 0.3268E+02 0.7721E+00 0.3093E+02 0.1165E+00 0.3097E+02 0.3097E+02 0.7812E+00 0.2963E+02 0.1149E+00 0.2936E+02 0.2936E+02 0.7904E+00 0.2791E+02 0.1132E+00 0.2783E+02 0.2783E+02 0.7995E+00 0.2656E+02 0.1117E+00 0.2639E+02 0.2639E+02 0.8087E+00 0.2510E+02 0.1099E+00 0.2503E+02 0.2503E+02 0.8178E+00 0.2425E+02 0.1087E+00 0.2375E+02 0.2375E+02 0.8269E+00 0.2255E+02 0.1072E+00 0.2254E+02 0.2254E+02 0.8361E+00 0.2124E+02 0.1057E+00 0.2141E+02 0.2141E+02 0.8452E+00 0.2006E+02 0.1044E+00 0.2035E+02 0.2035E+02 0.8544E+00 0.1927E+02 0.1033E+00 0.1935E+02 0.1935E+02 0.8635E+00 0.1847E+02 0.1019E+00 0.1841E+02 0.1841E+02 0.8726E+00 0.1756E+02 0.1010E+00 0.1754E+02 0.1754E+02 0.8818E+00 0.1658E+02 0.9955E-01 0.1672E+02 0.1672E+02 0.8909E+00 0.1567E+02 0.9845E-01 0.1595E+02 0.1595E+02 0.9000E+00 0.1508E+02 0.9760E-01 0.1524E+02 0.1524E+02 0.9092E+00 0.1473E+02 0.9650E-01 0.1457E+02 0.1457E+02 0.9183E+00 0.1423E+02 0.9585E-01 0.1395E+02 0.1395E+02 0.9275E+00 0.1309E+02 0.9498E-01 0.1337E+02 0.1337E+02 0.9366E+00 0.1267E+02 0.9416E-01 0.1283E+02 0.1283E+02 0.9457E+00 0.1216E+02 0.9344E-01 0.1232E+02 0.1232E+02 0.9549E+00 0.1164E+02 0.9285E-01 0.1185E+02 0.1185E+02 0.9640E+00 0.1129E+02 0.9201E-01 0.1142E+02 0.1142E+02 0.9731E+00 0.1079E+02 0.9143E-01 0.1101E+02 0.1101E+02 0.9823E+00 0.1022E+02 0.9082E-01 0.1063E+02 0.1063E+02 0.9914E+00 0.1008E+02 0.9008E-01 0.1027E+02 0.1027E+02 0.1001E+01 0.9927E+01 0.8968E-01 0.9944E+01 0.9944E+01 0.1010E+01 0.9419E+01 0.8913E-01 0.9635E+01 0.9635E+01 0.1019E+01 0.8878E+01 0.8838E-01 0.9345E+01 0.9345E+01 0.1028E+01 0.9186E+01 0.8793E-01 0.9075E+01 0.9075E+01 0.1037E+01 0.8905E+01 0.8761E-01 0.8821E+01 0.8821E+01 0.1046E+01 0.9025E+01 0.8692E-01 0.8582E+01 0.8582E+01 0.1055E+01 0.8503E+01 0.8650E-01 0.8358E+01 0.8358E+01 0.1065E+01 0.7994E+01 0.8598E-01 0.8146E+01 0.8146E+01 0.1074E+01 0.7836E+01 0.8534E-01 0.7945E+01 0.7945E+01 0.1083E+01 0.7454E+01 0.8498E-01 0.7755E+01 0.7755E+01 0.1092E+01 0.7360E+01 0.8461E-01 0.7574E+01 0.7574E+01 0.1101E+01 0.7511E+01 0.8407E-01 0.7401E+01 0.7401E+01 0.1110E+01 0.7236E+01 0.8379E-01 0.7237E+01 0.7237E+01 0.1119E+01 0.7121E+01 0.8316E-01 0.7078E+01 0.7078E+01 0.1128E+01 0.6946E+01 0.8286E-01 0.6926E+01 0.6926E+01 0.1138E+01 0.6801E+01 0.8250E-01 0.6779E+01 0.6779E+01 0.1147E+01 0.6469E+01 0.8196E-01 0.6637E+01 0.6637E+01 0.1156E+01 0.6499E+01 0.8158E-01 0.6499E+01 0.6499E+01 0.1165E+01 0.6367E+01 0.8138E-01 0.6365E+01 0.6365E+01 0.1174E+01 0.6415E+01 0.8112E-01 0.6233E+01 0.6233E+01 0.1183E+01 0.6163E+01 0.8048E-01 0.6106E+01 0.6106E+01 0.1192E+01 0.6056E+01 0.8033E-01 0.5980E+01 0.5980E+01 0.1202E+01 0.5796E+01 0.7987E-01 0.5857E+01 0.5857E+01 0.1211E+01 0.5974E+01 0.7947E-01 0.5736E+01 0.5736E+01 0.1220E+01 0.5837E+01 0.7930E-01 0.5617E+01 0.5617E+01 0.1229E+01 0.5413E+01 0.7874E-01 0.5500E+01 0.5500E+01 0.1238E+01 0.5400E+01 0.7846E-01 0.5384E+01 0.5384E+01 0.1247E+01 0.5183E+01 0.7815E-01 0.5269E+01 0.5269E+01 0.1256E+01 0.5244E+01 0.7777E-01 0.5156E+01 0.5156E+01 0.1266E+01 0.5209E+01 0.7753E-01 0.5044E+01 0.5044E+01 0.1275E+01 0.4934E+01 0.7731E-01 0.4934E+01 0.4934E+01 0.1284E+01 0.4810E+01 0.7692E-01 0.4824E+01 0.4824E+01 0.1293E+01 0.4798E+01 0.7664E-01 0.4716E+01 0.4716E+01 0.1302E+01 0.4712E+01 0.7635E-01 0.4609E+01 0.4609E+01 0.1311E+01 0.4599E+01 0.7603E-01 0.4503E+01 0.4503E+01 0.1320E+01 0.4682E+01 0.7578E-01 0.4398E+01 0.4398E+01 0.1330E+01 0.4269E+01 0.7558E-01 0.4295E+01 0.4295E+01 0.1339E+01 0.4080E+01 0.7510E-01 0.4192E+01 0.4192E+01 0.1348E+01 0.4169E+01 0.7490E-01 0.4091E+01 0.4091E+01 0.1357E+01 0.4071E+01 0.7469E-01 0.3991E+01 0.3991E+01 0.1366E+01 0.3841E+01 0.7430E-01 0.3893E+01 0.3893E+01 0.1375E+01 0.3617E+01 0.7414E-01 0.3795E+01 0.3795E+01 0.1384E+01 0.3616E+01 0.7396E-01 0.3700E+01 0.3700E+01 0.1394E+01 0.3585E+01 0.7355E-01 0.3606E+01 0.3606E+01 0.1403E+01 0.3709E+01 0.7333E-01 0.3513E+01 0.3513E+01 0.1412E+01 0.3512E+01 0.7314E-01 0.3422E+01 0.3422E+01 0.1421E+01 0.3286E+01 0.7269E-01 0.3332E+01 0.3332E+01 0.1430E+01 0.3161E+01 0.7271E-01 0.3244E+01 0.3244E+01 0.1439E+01 0.3153E+01 0.7232E-01 0.3158E+01 0.3158E+01 0.1448E+01 0.2978E+01 0.7193E-01 0.3073E+01 0.3073E+01 0.1457E+01 0.2963E+01 0.7198E-01 0.2990E+01 0.2990E+01 0.1467E+01 0.3053E+01 0.7161E-01 0.2909E+01 0.2909E+01 0.1476E+01 0.2688E+01 0.7135E-01 0.2829E+01 0.2829E+01 0.1485E+01 0.2645E+01 0.7128E-01 0.2751E+01 0.2751E+01 0.1494E+01 0.2910E+01 0.7106E-01 0.2675E+01 0.2675E+01 0.1503E+01 0.2577E+01 0.7077E-01 0.2601E+01 0.2601E+01 0.1512E+01 0.2424E+01 0.7064E-01 0.2529E+01 0.2529E+01 0.1521E+01 0.2226E+01 0.7029E-01 0.2458E+01 0.2458E+01 0.1531E+01 0.2426E+01 0.7011E-01 0.2390E+01 0.2390E+01 0.1540E+01 0.2351E+01 0.7015E-01 0.2323E+01 0.2323E+01 0.1549E+01 0.2223E+01 0.6973E-01 0.2258E+01 0.2258E+01 0.1558E+01 0.2064E+01 0.6953E-01 0.2194E+01 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0.4918E+00 0.5653E-01 0.5212E+00 0.5212E+00 0.3568E+01 0.4416E+00 0.5654E-01 0.5206E+00 0.5206E+00 0.3578E+01 0.4284E+00 0.5644E-01 0.5201E+00 0.5201E+00 0.3587E+01 0.6926E+00 0.5658E-01 0.5197E+00 0.5197E+00 0.3596E+01 0.3363E+00 0.5663E-01 0.5194E+00 0.5194E+00 0.3605E+01 0.6370E+00 0.5657E-01 0.5191E+00 0.5191E+00 0.3614E+01 0.4800E+00 0.5663E-01 0.5189E+00 0.5189E+00 0.3623E+01 0.5585E+00 0.5662E-01 0.5189E+00 0.5189E+00 0.3632E+01 0.5308E+00 0.5662E-01 0.5189E+00 0.5189E+00 0.3642E+01 0.6816E+00 0.5674E-01 0.5192E+00 0.5192E+00 0.3651E+01 0.3489E+00 0.5673E-01 0.5194E+00 0.5194E+00 0.3660E+01 0.5183E+00 0.5672E-01 0.5197E+00 0.5197E+00 0.3669E+01 0.4991E+00 0.5690E-01 0.5202E+00 0.5202E+00 0.3678E+01 0.7544E+00 0.5675E-01 0.5208E+00 0.5208E+00 0.3687E+01 0.6508E+00 0.5685E-01 0.5215E+00 0.5215E+00 0.3696E+01 0.3277E+00 0.5687E-01 0.5223E+00 0.5223E+00 0.3705E+01 0.4918E+00 0.5686E-01 0.5232E+00 0.5232E+00 0.3715E+01 0.5020E+00 0.5691E-01 0.5241E+00 0.5241E+00 0.3724E+01 0.7063E+00 0.5706E-01 0.5254E+00 0.5254E+00 0.3733E+01 0.5260E+00 0.5699E-01 0.5263E+00 0.5263E+00 0.3742E+01 0.4611E+00 0.5708E-01 0.5275E+00 0.5275E+00 0.3751E+01 0.5384E+00 0.5715E-01 0.5288E+00 0.5288E+00 0.3760E+01 0.4102E+00 0.5712E-01 0.5301E+00 0.5301E+00 0.3769E+01 0.5444E+00 0.5715E-01 0.5314E+00 0.5314E+00 0.3779E+01 0.4564E+00 0.5720E-01 0.5328E+00 0.5328E+00 0.3788E+01 0.5753E+00 0.5734E-01 0.5342E+00 0.5342E+00 0.3797E+01 0.5071E+00 0.5733E-01 0.5356E+00 0.5356E+00 0.3806E+01 0.5234E+00 0.5739E-01 0.5370E+00 0.5370E+00 0.3815E+01 0.4369E+00 0.5744E-01 0.5384E+00 0.5384E+00 0.3824E+01 0.6363E+00 0.5749E-01 0.5397E+00 0.5397E+00 0.3833E+01 0.5703E+00 0.5751E-01 0.5411E+00 0.5411E+00 0.3843E+01 0.6012E+00 0.5755E-01 0.5423E+00 0.5423E+00 0.3852E+01 0.6124E+00 0.5772E-01 0.5436E+00 0.5436E+00 0.3861E+01 0.6148E+00 0.5767E-01 0.5447E+00 0.5447E+00 0.3870E+01 0.3695E+00 0.5769E-01 0.5458E+00 0.5458E+00 0.3879E+01 0.5626E+00 0.5786E-01 0.5468E+00 0.5468E+00 0.3888E+01 0.5423E+00 0.5785E-01 0.5477E+00 0.5477E+00 0.3897E+01 0.4609E+00 0.5788E-01 0.5485E+00 0.5485E+00 0.3907E+01 0.5640E+00 0.5800E-01 0.5492E+00 0.5492E+00 0.3916E+01 0.3612E+00 0.5798E-01 0.5498E+00 0.5498E+00 0.3925E+01 0.4793E+00 0.5817E-01 0.5503E+00 0.5503E+00 0.3934E+01 0.6633E+00 0.5823E-01 0.5506E+00 0.5506E+00 0.3943E+01 0.6144E+00 0.5831E-01 0.5511E+00 0.5511E+00 0.3952E+01 0.5782E+00 0.5837E-01 0.5509E+00 0.5509E+00 0.3961E+01 0.5443E+00 0.5846E-01 0.5509E+00 0.5509E+00 0.3970E+01 0.5840E+00 0.5848E-01 0.5507E+00 0.5507E+00 0.3980E+01 0.3188E+00 0.5848E-01 0.5504E+00 0.5504E+00 0.3989E+01 0.5288E+00 0.5872E-01 0.5500E+00 0.5500E+00 0.3998E+01 0.6653E+00 0.5866E-01 0.5494E+00 0.5494E+00 0.4007E+01 0.6425E+00 0.5882E-01 0.5487E+00 0.5487E+00 0.4016E+01 0.4589E+00 0.5875E-01 0.5479E+00 0.5479E+00 0.4025E+01 0.6711E+00 0.5890E-01 0.5469E+00 0.5469E+00 0.4034E+01 0.7302E+00 0.5901E-01 0.5459E+00 0.5459E+00 0.4044E+01 0.6021E+00 0.5913E-01 0.5447E+00 0.5447E+00 0.4053E+01 0.6722E+00 0.5911E-01 0.5435E+00 0.5435E+00 0.4062E+01 0.5310E+00 0.5931E-01 0.5421E+00 0.5421E+00 0.4071E+01 0.6947E+00 0.5939E-01 0.5407E+00 0.5407E+00 0.4080E+01 0.7402E+00 0.5943E-01 0.5392E+00 0.5392E+00 0.4089E+01 0.6652E+00 0.5959E-01 0.5376E+00 0.5376E+00 0.4098E+01 0.6044E+00 0.5969E-01 0.5359E+00 0.5359E+00 0.4108E+01 0.4611E+00 0.5967E-01 0.5342E+00 0.5342E+00 0.4117E+01 0.5648E+00 0.5987E-01 0.5325E+00 0.5325E+00 0.4126E+01 0.5867E+00 0.5983E-01 0.5307E+00 0.5307E+00 0.4135E+01 0.4237E+00 0.6003E-01 0.5288E+00 0.5288E+00 0.4144E+01 0.4491E+00 0.6006E-01 0.5270E+00 0.5270E+00 0.4153E+01 0.5509E+00 0.6025E-01 0.5252E+00 0.5252E+00 0.4162E+01 0.5368E+00 0.6027E-01 0.5234E+00 0.5234E+00 0.4172E+01 0.2816E+00 0.6041E-01 0.5216E+00 0.5216E+00 0.4181E+01 0.5381E+00 0.6057E-01 0.5198E+00 0.5198E+00 0.4190E+01 0.5072E+00 0.6069E-01 0.5180E+00 0.5180E+00 0.4199E+01 0.4100E+00 0.6068E-01 0.5163E+00 0.5163E+00 0.4208E+01 0.4962E+00 0.6086E-01 0.5146E+00 0.5146E+00 0.4217E+01 0.4943E+00 0.6095E-01 0.5130E+00 0.5130E+00 0.4226E+01 0.3823E+00 0.6115E-01 0.5114E+00 0.5114E+00 0.4235E+01 0.5093E+00 0.6130E-01 0.5099E+00 0.5099E+00 0.4245E+01 0.5784E+00 0.6149E-01 0.5084E+00 0.5084E+00 0.4254E+01 0.5617E+00 0.6154E-01 0.5070E+00 0.5070E+00 0.4263E+01 0.5532E+00 0.6173E-01 0.5057E+00 0.5057E+00 0.4272E+01 0.5903E+00 0.6183E-01 0.5044E+00 0.5044E+00 0.4281E+01 0.3487E+00 0.6192E-01 0.5032E+00 0.5032E+00 0.4290E+01 0.5124E+00 0.6211E-01 0.5021E+00 0.5021E+00 0.4299E+01 0.4671E+00 0.6235E-01 0.5010E+00 0.5010E+00 0.4309E+01 0.5114E+00 0.6236E-01 0.4999E+00 0.4999E+00 0.4318E+01 0.7232E+00 0.6271E-01 0.4992E+00 0.4992E+00 0.4327E+01 0.4986E+00 0.6276E-01 0.4983E+00 0.4983E+00 0.4336E+01 0.4545E+00 0.6288E-01 0.4976E+00 0.4976E+00 0.4345E+01 0.5838E+00 0.6310E-01 0.4968E+00 0.4968E+00 0.4354E+01 0.4468E+00 0.6321E-01 0.4961E+00 0.4961E+00 0.4363E+01 0.4924E+00 0.6333E-01 0.4955E+00 0.4955E+00 0.4373E+01 0.3305E+00 0.6358E-01 0.4949E+00 0.4949E+00 0.4382E+01 0.4650E+00 0.6380E-01 0.4944E+00 0.4944E+00 0.4391E+01 0.3834E+00 0.6394E-01 0.4939E+00 0.4939E+00 0.4400E+01 0.5302E+00 0.6415E-01 0.4934E+00 0.4934E+00 0.4409E+01 0.5416E+00 0.6430E-01 0.4930E+00 0.4930E+00 0.4418E+01 0.6462E+00 0.6459E-01 0.4925E+00 0.4925E+00 0.4427E+01 0.6291E+00 0.6480E-01 0.4921E+00 0.4921E+00 0.4437E+01 0.5061E+00 0.6494E-01 0.4916E+00 0.4916E+00 0.4446E+01 0.4678E+00 0.6520E-01 0.4912E+00 0.4912E+00 0.4455E+01 0.5643E+00 0.6545E-01 0.4907E+00 0.4907E+00 0.4464E+01 0.2834E+00 0.6552E-01 0.4902E+00 0.4902E+00 0.4473E+01 0.3074E+00 0.6575E-01 0.4897E+00 0.4897E+00 0.4482E+01 0.3228E+00 0.6610E-01 0.4891E+00 0.4891E+00 0.4491E+01 0.6273E+00 0.6623E-01 0.4885E+00 0.4885E+00 0.4501E+01 0.5411E+00 0.6651E-01 0.4878E+00 0.4878E+00 0.4510E+01 0.6549E+00 0.6684E-01 0.4871E+00 0.4871E+00 0.4519E+01 0.5441E+00 0.6694E-01 0.4863E+00 0.4863E+00 0.4528E+01 0.5526E+00 0.6729E-01 0.4855E+00 0.4855E+00 0.4537E+01 0.5834E+00 0.6752E-01 0.4844E+00 0.4844E+00 0.4546E+01 0.4945E+00 0.6785E-01 0.4835E+00 0.4835E+00 0.4555E+01 0.3732E+00 0.6806E-01 0.4825E+00 0.4825E+00 0.4564E+01 0.3952E+00 0.6835E-01 0.4813E+00 0.4813E+00 0.4574E+01 0.6702E+00 0.6862E-01 0.4801E+00 0.4801E+00 0.4583E+01 0.7698E+00 0.6918E-01 0.4788E+00 0.4788E+00 0.4592E+01 0.6106E+00 0.6941E-01 0.4773E+00 0.4773E+00 0.4601E+01 0.4266E+00 0.6956E-01 0.4759E+00 0.4759E+00 0.4610E+01 0.4142E+00 0.7001E-01 0.4743E+00 0.4743E+00 0.4619E+01 0.3745E+00 0.7032E-01 0.4726E+00 0.4726E+00 0.4628E+01 0.5069E+00 0.7066E-01 0.4709E+00 0.4709E+00 0.4638E+01 0.6999E+00 0.7119E-01 0.4691E+00 0.4691E+00 0.4647E+01 0.4815E+00 0.7138E-01 0.4672E+00 0.4672E+00 0.4656E+01 0.3934E+00 0.7185E-01 0.4653E+00 0.4653E+00 0.4665E+01 0.5320E+00 0.7231E-01 0.4633E+00 0.4633E+00 0.4674E+01 0.6034E+00 0.7272E-01 0.4612E+00 0.4612E+00 0.4683E+01 0.3668E+00 0.7309E-01 0.4591E+00 0.4591E+00 0.4692E+01 0.3376E+00 0.7362E-01 0.4569E+00 0.4569E+00 0.4702E+01 0.3693E+00 0.7404E-01 0.4546E+00 0.4546E+00 0.4711E+01 0.3610E+00 0.7460E-01 0.4524E+00 0.4524E+00 0.4720E+01 0.6693E+00 0.7513E-01 0.4501E+00 0.4501E+00 0.4729E+01 0.6263E+00 0.7565E-01 0.4478E+00 0.4478E+00 0.4738E+01 0.6761E+00 0.7613E-01 0.4454E+00 0.4454E+00 0.4747E+01 0.4389E+00 0.7674E-01 0.4430E+00 0.4430E+00 0.4756E+01 0.4179E+00 0.7725E-01 0.4407E+00 0.4407E+00 0.4766E+01 0.2510E+00 0.7795E-01 0.4383E+00 0.4383E+00 0.4775E+01 0.5601E+00 0.7852E-01 0.4360E+00 0.4360E+00 0.4784E+01 0.3437E+00 0.7912E-01 0.4336E+00 0.4336E+00 0.4793E+01 0.3570E+00 0.7982E-01 0.4313E+00 0.4313E+00 0.4802E+01 0.4664E+00 0.8074E-01 0.4290E+00 0.4290E+00 0.4811E+01 0.4116E+00 0.8150E-01 0.4267E+00 0.4267E+00 0.4820E+01 0.4213E+00 0.8241E-01 0.4245E+00 0.4245E+00 0.4829E+01 0.5817E+00 0.8309E-01 0.4223E+00 0.4223E+00 0.4839E+01 0.3932E+00 0.8417E-01 0.4201E+00 0.4201E+00 0.4848E+01 0.3267E+00 0.8515E-01 0.4180E+00 0.4180E+00 0.4857E+01 0.2991E+00 0.8626E-01 0.4160E+00 0.4160E+00 0.4866E+01 0.1647E+00 0.8716E-01 0.4140E+00 0.4140E+00 0.4875E+01 0.5453E+00 0.8874E-01 0.4120E+00 0.4120E+00 0.4884E+01 0.5054E+00 0.8982E-01 0.4101E+00 0.4101E+00 0.4893E+01 0.3342E+00 0.9130E-01 0.4083E+00 0.4083E+00 0.4903E+01 0.2313E+00 0.9269E-01 0.4066E+00 0.4066E+00 0.4912E+01 0.5278E+00 0.9463E-01 0.4049E+00 0.4049E+00 Distance distribution function of particle R P(R) ERROR 0.0000E+00 0.0000E+00 0.0000E+00 0.1050E+00 0.8170E-01 0.0000E+00 0.2100E+00 0.1591E+00 0.0000E+00 0.3150E+00 0.2354E+00 0.0000E+00 0.4200E+00 0.3154E+00 0.0000E+00 0.5250E+00 0.4047E+00 0.0000E+00 0.6300E+00 0.5091E+00 0.0000E+00 0.7350E+00 0.6334E+00 0.0000E+00 0.8400E+00 0.7808E+00 0.0000E+00 0.9450E+00 0.9527E+00 0.0000E+00 0.1050E+01 0.1148E+01 0.0000E+00 0.1155E+01 0.1364E+01 0.0000E+00 0.1260E+01 0.1596E+01 0.0000E+00 0.1365E+01 0.1838E+01 0.0000E+00 0.1470E+01 0.2084E+01 0.0000E+00 0.1575E+01 0.2329E+01 0.0000E+00 0.1680E+01 0.2568E+01 0.0000E+00 0.1785E+01 0.2798E+01 0.0000E+00 0.1890E+01 0.3018E+01 0.0000E+00 0.1995E+01 0.3227E+01 0.0000E+00 0.2100E+01 0.3426E+01 0.0000E+00 0.2205E+01 0.3618E+01 0.0000E+00 0.2310E+01 0.3803E+01 0.0000E+00 0.2415E+01 0.3984E+01 0.0000E+00 0.2520E+01 0.4162E+01 0.0000E+00 0.2625E+01 0.4336E+01 0.0000E+00 0.2730E+01 0.4505E+01 0.0000E+00 0.2835E+01 0.4669E+01 0.0000E+00 0.2940E+01 0.4826E+01 0.0000E+00 0.3045E+01 0.4973E+01 0.0000E+00 0.3150E+01 0.5109E+01 0.0000E+00 0.3255E+01 0.5232E+01 0.0000E+00 0.3360E+01 0.5342E+01 0.0000E+00 0.3465E+01 0.5438E+01 0.0000E+00 0.3570E+01 0.5520E+01 0.0000E+00 0.3675E+01 0.5588E+01 0.0000E+00 0.3780E+01 0.5644E+01 0.0000E+00 0.3885E+01 0.5689E+01 0.0000E+00 0.3990E+01 0.5722E+01 0.0000E+00 0.4095E+01 0.5744E+01 0.0000E+00 0.4200E+01 0.5756E+01 0.0000E+00 0.4305E+01 0.5757E+01 0.0000E+00 0.4410E+01 0.5748E+01 0.0000E+00 0.4515E+01 0.5729E+01 0.0000E+00 0.4620E+01 0.5699E+01 0.0000E+00 0.4725E+01 0.5660E+01 0.0000E+00 0.4830E+01 0.5612E+01 0.0000E+00 0.4935E+01 0.5555E+01 0.0000E+00 0.5040E+01 0.5490E+01 0.0000E+00 0.5145E+01 0.5418E+01 0.0000E+00 0.5250E+01 0.5340E+01 0.0000E+00 0.5355E+01 0.5254E+01 0.0000E+00 0.5460E+01 0.5161E+01 0.0000E+00 0.5565E+01 0.5061E+01 0.0000E+00 0.5670E+01 0.4953E+01 0.0000E+00 0.5775E+01 0.4838E+01 0.0000E+00 0.5880E+01 0.4715E+01 0.0000E+00 0.5985E+01 0.4584E+01 0.0000E+00 0.6090E+01 0.4445E+01 0.0000E+00 0.6195E+01 0.4299E+01 0.0000E+00 0.6300E+01 0.4146E+01 0.0000E+00 0.6405E+01 0.3988E+01 0.0000E+00 0.6510E+01 0.3825E+01 0.0000E+00 0.6615E+01 0.3658E+01 0.0000E+00 0.6720E+01 0.3487E+01 0.0000E+00 0.6825E+01 0.3314E+01 0.0000E+00 0.6930E+01 0.3140E+01 0.0000E+00 0.7035E+01 0.2965E+01 0.0000E+00 0.7140E+01 0.2790E+01 0.0000E+00 0.7245E+01 0.2618E+01 0.0000E+00 0.7350E+01 0.2448E+01 0.0000E+00 0.7455E+01 0.2283E+01 0.0000E+00 0.7560E+01 0.2123E+01 0.0000E+00 0.7665E+01 0.1970E+01 0.0000E+00 0.7770E+01 0.1824E+01 0.0000E+00 0.7875E+01 0.1685E+01 0.0000E+00 0.7980E+01 0.1553E+01 0.0000E+00 0.8085E+01 0.1428E+01 0.0000E+00 0.8190E+01 0.1310E+01 0.0000E+00 0.8295E+01 0.1198E+01 0.0000E+00 0.8400E+01 0.1092E+01 0.0000E+00 0.8505E+01 0.9904E+00 0.0000E+00 0.8610E+01 0.8946E+00 0.0000E+00 0.8715E+01 0.8044E+00 0.0000E+00 0.8820E+01 0.7202E+00 0.0000E+00 0.8925E+01 0.6428E+00 0.0000E+00 0.9030E+01 0.5724E+00 0.0000E+00 0.9135E+01 0.5096E+00 0.0000E+00 0.9240E+01 0.4542E+00 0.0000E+00 0.9345E+01 0.4060E+00 0.0000E+00 0.9450E+01 0.3641E+00 0.0000E+00 0.9555E+01 0.3277E+00 0.0000E+00 0.9660E+01 0.2952E+00 0.0000E+00 0.9765E+01 0.2652E+00 0.0000E+00 0.9870E+01 0.2361E+00 0.0000E+00 0.9975E+01 0.2065E+00 0.0000E+00 0.1008E+02 0.1748E+00 0.0000E+00 0.1019E+02 0.1396E+00 0.0000E+00 0.1029E+02 0.9965E-01 0.0000E+00 0.1039E+02 0.5356E-01 0.0000E+00 0.1050E+02 0.0000E+00 0.0000E+00 Reciprocal space: Rg = 3.55 , I(0) = 0.3819E+03 Real space: Rg = 3.54 +- 0.000 I(0) = 0.3819E+03 +- 0.0000E+00