#### G N O M --- Version 4.6 #### 20-Jan-2016 14:29:32 === Run No 1 === Run title: Number of points omitted at the beginning: 1 Number of points omitted at the end: 15 ******* Input file(s) : 2HRNA2HFibTd-8780-KWS1_bs.dat Condition P(rmin) = 0 is used. Condition P(rmax) = 0 is used. Highest ALPHA is found to be 0.8937E+02 The measure of inconsistency AN1 equals to 0.1542E+00 Alpha Discrp Oscill Stabil Sysdev Positv Valcen Total 0.8937E+05 46.6939 1.2313 0.9836 0.0000 1.0000 0.8585 0.36824 0.1787E+05 45.5724 1.2322 0.9583 0.0000 1.0000 0.8582 0.36793 0.3575E+04 40.7335 1.2367 0.8487 0.0000 1.0000 0.8570 0.36638 0.7149E+03 27.1486 1.2578 0.5336 0.0000 1.0000 0.8512 0.35896 0.1430E+03 12.1981 1.3345 0.1771 0.0000 1.0000 0.8313 0.35757 0.2860E+02 5.2672 1.4872 0.1026 0.2069 1.0000 0.8015 0.38664 0.5720E+01 2.1263 1.6381 0.0634 0.5517 1.0000 0.7964 0.40041 0.1144E+01 1.1558 1.7350 0.0348 0.6207 1.0000 0.8068 0.42312 0.2288E+00 1.0004 1.7860 0.0176 0.8966 1.0000 0.8138 0.69923 0.4576E-01 0.9782 1.8298 0.0296 1.0345 1.0000 0.8186 0.68594 0.9151E-02 0.9657 1.9644 0.0375 0.9655 1.0000 0.8221 0.65624 0.1830E-02 0.9605 2.1983 0.0703 0.8966 1.0000 0.8119 0.58090 0.3661E-03 0.9556 3.1239 0.1962 0.9655 0.9969 0.7605 0.39774 0.7321E-04 0.9509 4.7998 0.2243 1.0345 0.9849 0.6595 0.38127 0.1464E-04 0.9485 6.0449 0.4287 1.0345 0.9609 0.5512 0.36688 0.2928E-05 0.9439 8.0293 0.5996 1.0345 0.8561 0.4788 0.31280 0.5857E-06 0.9384 8.8692 0.3187 1.1034 0.7839 0.4250 0.29779 0.1171E-06 0.9368 9.4400 0.1227 0.9655 0.7653 0.3973 0.38441 0.2343E-07 0.9364 11.8592 0.4887 0.9655 0.7523 0.2956 0.29596 0.4685E-08 0.9358 14.6461 0.7697 0.9655 0.7229 0.2891 0.00000 *** Golden section search to maximize estimate *** Alpha Discrp Oscill Stabil Sysdev Positv Valcen Total 0.4231E+00 1.0260 1.7706 0.0218 0.8276 1.0000 0.8117 0.47627 0.1809E+00 0.9949 1.7912 0.0171 0.8966 1.0000 0.8146 0.69964 0.1565E+00 0.9922 1.7944 0.0172 1.0345 1.0000 0.8150 0.69954 0.1979E+00 0.9968 1.7893 0.0172 0.8966 1.0000 0.8143 0.69957 0.1711E+00 0.9939 1.7924 0.0171 0.8966 1.0000 0.8147 0.69963 0.1872E+00 0.9956 1.7905 0.0171 0.8966 1.0000 0.8145 0.69963 0.1771E+00 0.9945 1.7917 0.0171 0.8966 1.0000 0.8146 0.69964 0.1748E+00 0.9943 1.7920 0.0171 0.8966 1.0000 0.8147 0.69964 0.1786E+00 0.9947 1.7915 0.0171 0.8966 1.0000 0.8146 0.69964 0.1762E+00 0.9944 1.7918 0.0171 0.8966 1.0000 0.8146 0.69964 0.1777E+00 0.9946 1.7916 0.0171 0.8966 1.0000 0.8146 0.69964 0.1780E+00 0.9946 1.7916 0.0171 0.8966 1.0000 0.8146 0.69964 0.1775E+00 0.9946 1.7917 0.0171 0.8966 1.0000 0.8146 0.69964 0.1777E+00 0.9946 1.7916 0.0171 0.8966 1.0000 0.8146 0.69964 #### 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 0.995 1.792 0.017 0.897 1.000 0.815 - - - - - - - - - - - - - - - - - - - - - - - - - Estimate 0.381 0.265 0.980 1.000 1.000 0.280 Angular range : from 0.0143 to 0.1172 Real space range : from 0.00 to 155.00 Highest ALPHA (theor) : 0.894E+05 JOB = 0 Current ALPHA : 0.178E+00 Rg : 0.535E+02 I(0) : 0.449E+00 Total estimate : 0.700 which is A REASONABLE solution S J EXP ERROR J REG I REG 0.0000E+00 0.4494E+00 0.1782E-02 0.4480E+00 0.3564E-02 0.4440E+00 0.5346E-02 0.4373E+00 0.7128E-02 0.4281E+00 0.8910E-02 0.4166E+00 0.1069E-01 0.4029E+00 0.1247E-01 0.3874E+00 0.1426E-01 0.3614E+00 0.7926E-02 0.3704E+00 0.3704E+00 0.1604E-01 0.3493E+00 0.5515E-02 0.3520E+00 0.3520E+00 0.1782E-01 0.3347E+00 0.4297E-02 0.3327E+00 0.3327E+00 0.1960E-01 0.3140E+00 0.3786E-02 0.3127E+00 0.3127E+00 0.2138E-01 0.2928E+00 0.3547E-02 0.2924E+00 0.2924E+00 0.2317E-01 0.2716E+00 0.3385E-02 0.2721E+00 0.2721E+00 0.2495E-01 0.2556E+00 0.3225E-02 0.2521E+00 0.2521E+00 0.2673E-01 0.2351E+00 0.3070E-02 0.2325E+00 0.2325E+00 0.2851E-01 0.2105E+00 0.3001E-02 0.2138E+00 0.2138E+00 0.3029E-01 0.1979E+00 0.2885E-02 0.1960E+00 0.1960E+00 0.3207E-01 0.1812E+00 0.2804E-02 0.1794E+00 0.1794E+00 0.3385E-01 0.1615E+00 0.2698E-02 0.1640E+00 0.1640E+00 0.3563E-01 0.1491E+00 0.2601E-02 0.1500E+00 0.1500E+00 0.3741E-01 0.1328E+00 0.2495E-02 0.1375E+00 0.1375E+00 0.3919E-01 0.1211E+00 0.2430E-02 0.1263E+00 0.1263E+00 0.4097E-01 0.1149E+00 0.2427E-02 0.1167E+00 0.1167E+00 0.4275E-01 0.1090E+00 0.2351E-02 0.1084E+00 0.1084E+00 0.4453E-01 0.1077E+00 0.2293E-02 0.1014E+00 0.1014E+00 0.4631E-01 0.9791E-01 0.2202E-02 0.9570E-01 0.9570E-01 0.4809E-01 0.9275E-01 0.2175E-02 0.9109E-01 0.9109E-01 0.4987E-01 0.9182E-01 0.2207E-02 0.8747E-01 0.8747E-01 0.5165E-01 0.8262E-01 0.2283E-02 0.8472E-01 0.8472E-01 0.5343E-01 0.7966E-01 0.2231E-02 0.8269E-01 0.8269E-01 0.5521E-01 0.8417E-01 0.2125E-02 0.8126E-01 0.8126E-01 0.5699E-01 0.7930E-01 0.2047E-02 0.8029E-01 0.8029E-01 0.5876E-01 0.7644E-01 0.1994E-02 0.7967E-01 0.7967E-01 0.6054E-01 0.8158E-01 0.1970E-02 0.7926E-01 0.7926E-01 0.6232E-01 0.7641E-01 0.1932E-02 0.7899E-01 0.7899E-01 0.6410E-01 0.7654E-01 0.1888E-02 0.7875E-01 0.7875E-01 0.6587E-01 0.7928E-01 0.1888E-02 0.7848E-01 0.7848E-01 0.6765E-01 0.7652E-01 0.1857E-02 0.7811E-01 0.7811E-01 0.6943E-01 0.7635E-01 0.1839E-02 0.7759E-01 0.7759E-01 0.7120E-01 0.7783E-01 0.1806E-02 0.7691E-01 0.7691E-01 0.7298E-01 0.7588E-01 0.1777E-02 0.7603E-01 0.7603E-01 0.7475E-01 0.7629E-01 0.1745E-02 0.7494E-01 0.7494E-01 0.7653E-01 0.7484E-01 0.1720E-02 0.7366E-01 0.7366E-01 0.7830E-01 0.7221E-01 0.1719E-02 0.7219E-01 0.7219E-01 0.8008E-01 0.7162E-01 0.1684E-02 0.7053E-01 0.7053E-01 0.8185E-01 0.6876E-01 0.1665E-02 0.6873E-01 0.6873E-01 0.8362E-01 0.6841E-01 0.1661E-02 0.6678E-01 0.6678E-01 0.8540E-01 0.6651E-01 0.1659E-02 0.6474E-01 0.6474E-01 0.8717E-01 0.6379E-01 0.1669E-02 0.6261E-01 0.6261E-01 0.8894E-01 0.5990E-01 0.1688E-02 0.6043E-01 0.6043E-01 0.9071E-01 0.5885E-01 0.1695E-02 0.5822E-01 0.5822E-01 0.9249E-01 0.5509E-01 0.1678E-02 0.5601E-01 0.5601E-01 0.9426E-01 0.5305E-01 0.1653E-02 0.5382E-01 0.5382E-01 0.9603E-01 0.5302E-01 0.1609E-02 0.5166E-01 0.5166E-01 0.9780E-01 0.4959E-01 0.1550E-02 0.4956E-01 0.4956E-01 0.9957E-01 0.4828E-01 0.1499E-02 0.4753E-01 0.4753E-01 0.1013E+00 0.4603E-01 0.1558E-02 0.4558E-01 0.4558E-01 0.1031E+00 0.4069E-01 0.1703E-02 0.4372E-01 0.4372E-01 0.1049E+00 0.3763E-01 0.1812E-02 0.4195E-01 0.4195E-01 0.1066E+00 0.4146E-01 0.1924E-02 0.4028E-01 0.4028E-01 0.1084E+00 0.4066E-01 0.2025E-02 0.3871E-01 0.3871E-01 0.1102E+00 0.3720E-01 0.2139E-02 0.3724E-01 0.3724E-01 0.1119E+00 0.3784E-01 0.2227E-02 0.3587E-01 0.3587E-01 0.1137E+00 0.3497E-01 0.2296E-02 0.3460E-01 0.3460E-01 0.1155E+00 0.3335E-01 0.2360E-02 0.3342E-01 0.3342E-01 0.1172E+00 0.2965E-01 0.2448E-02 0.3233E-01 0.3233E-01 Distance distribution function of particle R P(R) ERROR 0.0000E+00 0.0000E+00 0.0000E+00 0.2672E+01 0.8942E-04 0.2052E-05 0.5345E+01 0.1650E-03 0.3221E-05 0.8017E+01 0.2270E-03 0.3591E-05 0.1069E+02 0.2760E-03 0.3294E-05 0.1336E+02 0.3127E-03 0.2524E-05 0.1603E+02 0.3379E-03 0.1627E-05 0.1871E+02 0.3527E-03 0.1481E-05 0.2138E+02 0.3582E-03 0.2406E-05 0.2405E+02 0.3557E-03 0.3510E-05 0.2672E+02 0.3467E-03 0.4405E-05 0.2940E+02 0.3325E-03 0.4942E-05 0.3207E+02 0.3146E-03 0.5060E-05 0.3474E+02 0.2946E-03 0.4762E-05 0.3741E+02 0.2737E-03 0.4122E-05 0.4009E+02 0.2534E-03 0.3311E-05 0.4276E+02 0.2348E-03 0.2675E-05 0.4543E+02 0.2189E-03 0.2715E-05 0.4810E+02 0.2067E-03 0.3460E-05 0.5078E+02 0.1988E-03 0.4447E-05 0.5345E+02 0.1955E-03 0.5333E-05 0.5612E+02 0.1971E-03 0.5943E-05 0.5879E+02 0.2034E-03 0.6195E-05 0.6147E+02 0.2143E-03 0.6070E-05 0.6414E+02 0.2290E-03 0.5617E-05 0.6681E+02 0.2470E-03 0.4955E-05 0.6948E+02 0.2672E-03 0.4302E-05 0.7216E+02 0.2888E-03 0.3964E-05 0.7483E+02 0.3106E-03 0.4168E-05 0.7750E+02 0.3315E-03 0.4818E-05 0.8017E+02 0.3505E-03 0.5619E-05 0.8284E+02 0.3666E-03 0.6326E-05 0.8552E+02 0.3788E-03 0.6793E-05 0.8819E+02 0.3865E-03 0.6957E-05 0.9086E+02 0.3892E-03 0.6826E-05 0.9353E+02 0.3866E-03 0.6478E-05 0.9621E+02 0.3786E-03 0.6064E-05 0.9888E+02 0.3655E-03 0.5793E-05 0.1016E+03 0.3476E-03 0.5856E-05 0.1042E+03 0.3256E-03 0.6306E-05 0.1069E+03 0.3002E-03 0.7025E-05 0.1096E+03 0.2723E-03 0.7821E-05 0.1122E+03 0.2431E-03 0.8529E-05 0.1149E+03 0.2134E-03 0.9043E-05 0.1176E+03 0.1842E-03 0.9323E-05 0.1203E+03 0.1566E-03 0.9394E-05 0.1229E+03 0.1313E-03 0.9341E-05 0.1256E+03 0.1088E-03 0.9295E-05 0.1283E+03 0.8958E-04 0.9399E-05 0.1309E+03 0.7383E-04 0.9747E-05 0.1336E+03 0.6142E-04 0.1033E-04 0.1363E+03 0.5202E-04 0.1101E-04 0.1390E+03 0.4505E-04 0.1161E-04 0.1416E+03 0.3971E-04 0.1188E-04 0.1443E+03 0.3503E-04 0.1158E-04 0.1470E+03 0.2990E-04 0.1049E-04 0.1497E+03 0.2316E-04 0.8348E-05 0.1523E+03 0.1358E-04 0.4930E-05 0.1550E+03 0.0000E+00 0.0000E+00 Reciprocal space: Rg = 53.49 , I(0) = 0.4494E+00 Real space: Rg = 53.61 +- 0.460 I(0) = 0.4494E+00 +- 0.4191E-02