Operator: A. Le Bail February 2004 Program: McMaille ICDD 43-1748 Indexing benchmark B-1 ! Wavelength, zeropoint, Ngrid 1.541800 0.0000 0 ! Codes for symmetry 0 0 0 0 1 0 ! W, Nind 0.300 8 !Pmin, Pmax, Vmin, Vmax, Rmin, Rmax, Rmaxref 5. 20. 800. 1200. 0.02 0.25 0.50 ! Ntests, Nruns 2000000 20 ! 2-theta Intensity 6.712000 10.00000 13.17100 10.00000 13.58400 16.00000 14.88200 10.00000 15.49800 40.00000 16.52800 37.00000 17.43000 34.00000 18.92800 100.0000 19.80800 12.00000 20.14800 60.00000 20.85200 90.00000 22.53900 22.00000 23.68000 13.00000 23.98200 18.00000 25.08800 56.00000 25.84400 20.00000 26.55600 12.00000 27.41200 78.00000 28.27200 24.00000 29.78600 14.00000 ================================================================= McMaille version 3.04 by A. Le Bail - 2002 - alb@cristal.org ================================================================= Using generic filename : b-1-m 16-Feb-2004 17 hour 3 min 0 Sec ICDD 43-1748 Indexing benchmark B-1 Wavelength : 1.54180 Zeropoint : 0.0000 =============================================================================== Monte Carlo cell generation =============================================================================== Width of the columnar profile shape, W = 0.3000 Max non-indexed reflections, NIND = 8 Min/Max a,b,c, V 5.000000 20.00000 800.0000 1200.000 Min/Max volumes 800.0000 1200.000 Min/Max Rp, Rmaxref 2.0000000E-02 0.2500000 0.5000000 N of MC events, N of runs 2000000. 20 WARNING - WARNING - WARNING - WARNING - WARNING EXPECTED total number of tests 4.0000000E+07 EXPECTED TOTAL CPU TIME FOR A 2.4GHz: Seconds: 2000.000 Minutes: 33.33333 Hours: 0.5555555 Days: 2.3148147E-02 Years: 6.3419582E-05 2-THETA d(A) Iobs W 6.712 13.1688 10.000 0.300 13.171 6.7218 10.000 0.300 13.584 6.5184 16.000 0.300 14.882 5.9527 10.000 0.300 15.498 5.7174 40.000 0.300 16.528 5.3634 37.000 0.300 17.430 5.0878 34.000 0.300 18.928 4.6884 100.000 0.300 19.808 4.4820 12.000 0.300 20.148 4.4072 60.000 0.300 20.852 4.2599 90.000 0.300 22.539 3.9448 22.000 0.300 23.680 3.7572 13.000 0.300 23.982 3.7106 18.000 0.300 25.088 3.5494 56.000 0.300 25.844 3.4473 20.000 0.300 26.556 3.3565 12.000 0.300 27.412 3.2536 78.000 0.300 28.272 3.1565 24.000 0.300 29.786 2.9994 14.000 0.300 Dmin = 2.979439 16-Feb-2004 17 hour 3 min 0 Sec =============================================================================== RESULTS - RESULTS - RESULTS - RESULTS =============================================================================== =============================================================================== FINAL LIST OF CELL PROPOSALS, sorted by Rp : =============================================================================== Rp Vol Vol/V1 Ind Nsol a b c alpha beta gamma Monoclinic cells 0.119 1026.984 1.00 18 1 7.1103 16.3860 8.8344 90.000 93.844 90.000 0.154 995.131 0.97 18 2 11.9032 7.8156 10.7591 90.000 96.170 90.000 0.159 1015.961 0.99 16 1 5.4221 16.3886 11.9809 90.000 107.391 90.000 0.161 1093.106 1.06 16 1 12.1800 10.1812 9.3864 90.000 110.098 90.000 0.161 1134.523 1.10 17 1 13.0482 5.0828 17.9045 90.000 107.171 90.000 0.167 1147.966 1.12 17 3 9.8362 5.9787 19.5618 90.000 93.721 90.000 0.168 1019.202 0.99 16 1 15.8023 7.1448 9.0501 90.000 94.079 90.000 0.169 1027.403 1.00 15 2 5.4855 16.3788 11.8175 90.000 104.616 90.000 0.171 1145.757 1.12 15 2 9.9002 10.1875 12.8756 90.000 118.081 90.000 0.171 1145.586 1.12 15 1 9.8981 10.1874 11.9919 90.000 108.670 90.000 0.171 1140.675 1.11 16 2 12.8056 10.1933 9.9132 90.000 118.174 90.000 0.173 1086.697 1.06 15 2 10.1074 12.6197 8.5240 90.000 91.826 90.000 0.176 1199.160 1.17 17 1 11.6202 14.0648 7.3426 90.000 92.205 90.000 0.176 969.823 0.94 16 2 8.1389 13.5205 8.9430 90.000 99.771 90.000 0.176 1199.160 1.17 17 1 7.3433 14.0651 13.5042 90.000 120.712 90.000 0.177 1213.742 1.18 17 3 17.2025 10.7904 7.3673 90.000 117.434 90.000 0.177 1156.919 1.13 15 2 9.9379 10.1811 12.1181 90.000 109.338 90.000 0.178 1102.758 1.07 16 3 7.4658 13.3887 11.1040 90.000 96.517 90.000 0.179 1100.269 1.07 15 2 9.4143 6.9521 17.9236 90.000 110.294 90.000 0.179 1102.804 1.07 16 1 7.4647 13.3948 12.6523 90.000 119.339 90.000 0.180 1142.949 1.11 17 1 17.2001 5.6152 13.7362 90.000 120.513 90.000 0.180 1184.157 1.15 17 4 14.1320 7.3319 11.4354 90.000 91.989 90.000 0.181 1100.481 1.07 15 1 9.4103 6.9523 17.1197 90.000 100.718 90.000 0.181 1199.220 1.17 15 2 10.5188 7.1824 17.6317 90.000 115.807 90.000 0.181 1192.951 1.16 16 1 14.8500 7.5279 10.6784 90.000 92.060 90.000 0.181 1198.728 1.17 15 3 10.5160 7.1802 16.1289 90.000 100.166 90.000 0.181 1143.064 1.11 17 1 15.6385 5.6164 13.7359 90.000 108.654 90.000 0.181 1081.982 1.05 17 3 13.8706 6.5072 12.6987 90.000 109.265 90.000 0.182 918.231 0.89 14 1 13.6796 6.2716 11.4564 90.000 110.896 90.000 0.183 1065.995 1.04 15 1 11.3911 5.7172 16.4261 90.000 94.801 90.000 0.183 819.527 0.80 16 2 11.2853 12.1794 6.5734 90.000 114.898 90.000 0.183 819.400 0.80 16 2 10.3974 12.1771 6.5736 90.000 100.094 90.000 0.183 1088.532 1.06 16 2 8.8321 9.4701 13.0389 90.000 93.522 90.000 0.184 1145.598 1.12 17 4 14.2480 5.9802 14.7191 90.000 114.014 90.000 0.184 918.273 0.89 14 2 14.3727 6.2723 11.4545 90.000 117.220 90.000 0.184 1199.903 1.17 15 1 11.4584 8.1940 14.3768 90.000 117.262 90.000 0.184 1199.936 1.17 15 1 13.6795 8.1963 11.4554 90.000 110.894 90.000 0.185 1211.436 1.18 15 2 13.5739 10.1755 9.3771 90.000 110.716 90.000 0.185 943.149 0.92 17 3 14.0836 7.3385 9.1375 90.000 92.939 90.000 0.185 1004.977 0.98 17 1 13.1453 6.7099 11.4234 90.000 94.124 90.000 0.186 1182.073 1.15 17 1 17.1996 5.4224 14.4118 90.000 118.422 90.000 0.187 1134.006 1.10 16 4 7.5432 9.3766 16.3240 90.000 100.834 90.000 0.189 1203.467 1.17 15 2 12.6497 7.1959 13.6631 90.000 104.613 90.000 0.189 1146.855 1.12 17 1 13.4126 6.7720 13.2515 90.000 107.670 90.000 0.189 1143.071 1.11 15 1 19.5549 5.4574 10.7297 90.000 93.376 90.000 0.190 1196.795 1.17 17 1 13.6069 13.4997 6.7051 90.000 103.665 90.000 0.190 1196.979 1.17 17 3 13.6738 13.5001 6.7062 90.000 104.781 90.000 0.191 1041.401 1.01 18 3 13.5705 6.4882 11.8313 90.000 91.440 90.000 0.191 1107.866 1.08 15 1 15.3356 13.0241 6.1692 90.000 115.959 90.000 0.191 1046.848 1.02 18 7 11.8523 13.0748 6.7918 90.000 95.939 90.000 0.191 1092.511 1.06 16 1 19.9978 10.2377 5.7521 90.000 111.918 90.000 0.191 1092.973 1.06 16 1 5.7540 10.2384 18.9886 90.000 102.300 90.000 0.192 1046.836 1.02 18 1 6.7924 13.0743 13.0362 90.000 115.278 90.000 0.192 1107.887 1.08 15 1 14.8916 13.0249 6.1690 90.000 112.194 90.000 0.192 1144.209 1.11 17 2 14.0007 6.3947 13.6341 90.000 110.386 90.000 0.192 1107.860 1.08 15 1 6.1689 13.0234 13.8004 90.000 92.256 90.000 0.193 1189.918 1.16 16 1 17.2278 5.4317 14.3840 90.000 117.866 90.000 0.194 938.806 0.91 15 1 5.3707 10.1818 17.2066 90.000 93.840 90.000 0.194 1082.801 1.05 17 1 13.7387 5.6036 14.7333 90.000 107.323 90.000 0.194 1039.637 1.01 15 1 13.7328 5.1063 15.6445 90.000 108.619 90.000 0.194 1167.865 1.14 15 1 12.0835 14.8529 6.5074 90.000 90.515 90.000 0.194 1190.004 1.16 16 1 17.1901 5.4180 14.3734 90.000 117.260 90.000 0.194 1027.029 1.00 16 1 17.6453 7.1995 9.0498 90.000 116.704 90.000 0.195 1168.364 1.14 15 1 13.6802 14.8532 6.5076 90.000 117.923 90.000 0.195 1139.186 1.11 17 1 14.5050 5.8502 14.8862 90.000 115.601 90.000 0.195 1172.475 1.14 16 6 12.1529 11.9744 8.0761 90.000 93.946 90.000 0.195 948.834 0.92 16 1 9.0483 6.6503 15.8077 90.000 94.049 90.000 0.195 1086.267 1.06 16 1 13.0401 9.4424 8.8396 90.000 93.599 90.000 0.195 1168.475 1.14 16 4 8.8553 6.7593 19.6137 90.000 95.554 90.000 0.195 1135.237 1.11 15 2 18.9861 5.6153 11.4689 90.000 111.807 90.000 0.196 1093.297 1.06 16 1 18.6468 10.2378 5.7507 90.000 95.202 90.000 0.196 1135.504 1.11 17 1 17.8926 5.0540 13.0808 90.000 106.273 90.000 0.196 1087.868 1.06 16 1 12.1360 15.6659 6.5214 90.000 118.669 90.000 0.196 987.842 0.96 16 4 11.5137 7.8341 11.8297 90.000 112.214 90.000 0.196 1087.742 1.06 16 2 10.6703 15.6662 6.5211 90.000 93.765 90.000 0.196 948.728 0.92 16 2 17.6474 6.6502 9.0485 90.000 116.696 90.000 0.197 1066.017 1.04 17 2 11.3910 11.4355 8.2125 90.000 94.806 90.000 0.197 1159.135 1.13 16 2 9.9906 10.1451 12.1708 90.000 110.007 90.000 0.197 1131.507 1.10 16 3 11.8233 10.2064 9.9595 90.000 109.699 90.000 0.197 1211.884 1.18 15 1 10.5024 11.9773 9.7817 90.000 99.964 90.000 0.197 1039.727 1.01 14 1 10.8143 5.3076 18.4208 90.000 100.468 90.000 0.197 1105.761 1.08 16 1 8.9743 14.0653 9.1999 90.000 107.787 90.000 0.197 1083.184 1.05 16 1 13.0521 9.4108 8.8365 90.000 93.663 90.000 0.197 1085.590 1.06 16 3 10.4686 9.6680 11.8371 90.000 115.023 90.000 0.198 1022.551 1.00 16 1 8.8492 16.2660 7.1212 90.000 93.984 90.000 0.198 1165.735 1.14 16 2 14.1277 6.3405 13.0722 90.000 95.414 90.000 0.198 1158.983 1.13 16 1 12.8323 10.1462 9.9902 90.000 116.996 90.000 0.198 1137.573 1.11 17 1 13.3911 6.7287 13.2288 90.000 107.377 90.000 0.198 1193.877 1.16 15 1 17.2386 5.4331 14.3604 90.000 117.420 90.000 0.198 1022.431 1.00 15 1 7.5414 7.2294 19.0672 90.000 100.412 90.000 0.198 1134.979 1.11 15 1 18.1729 5.6145 11.4672 90.000 104.059 90.000 0.199 941.624 0.92 16 1 9.1214 7.3395 14.0890 90.000 93.326 90.000 0.199 1039.177 1.01 15 3 14.2084 5.7229 13.4052 90.000 107.568 90.000 0.199 1109.184 1.08 17 2 14.1475 13.3942 6.3207 90.000 112.169 90.000 0.199 1076.085 1.05 14 1 5.6975 15.3247 12.4101 90.000 96.730 90.000 0.199 1090.288 1.06 17 4 11.4782 11.2708 8.4627 90.000 95.209 90.000 0.199 1076.255 1.05 14 3 13.0359 15.3240 5.6985 90.000 109.011 90.000 0.199 1109.146 1.08 17 2 13.1380 13.3966 6.3195 90.000 94.292 90.000 0.199 1180.502 1.15 16 5 12.0405 6.9143 14.2455 90.000 95.499 90.000 0.199 1059.568 1.03 17 1 13.5998 6.5069 12.0436 90.000 96.191 90.000 0.199 1213.800 1.18 17 1 12.2008 8.4001 12.7854 90.000 112.132 90.000 0.199 1055.903 1.03 17 1 10.0317 7.8263 13.5174 90.000 95.762 90.000 "Best" cell with smallest Rp : ------------------------------ PROGRAM *** CELREF *** (J.LAUGIER & A.FILHOL 10/78) OBSERVABLE NUMBER : 15 ITERATION NUMBER : 10 REFINEMENT CONSTRAINTS : NO INITIAL VALUES : ZERO LAMBDA A B C ALPHA BETA GAMMA 1. 0. 1. 1. 1. 0. 1. 0. 0.000 1.5418 7.1103 16.3860 8.8344 90.000 93.844 90.000 RECIPROCAL CELL : 0.14096 0.06103 0.11345 90.000 86.156 90.000 VOLUME (A**3) : 1026.984 NUMBER OF INDEPENDENT PARAMETERS : 5 FINAL VALUES : (STANDARD DEVIATIONS : 2nd LINE) ZERO LAMBDA A B C ALPHA BETA GAMMA 0.017 1.5418 7.1044 16.3608 8.8288 90.000 93.813 90.000 0.016 0.0000 0.0066 0.0111 0.0065 0.000 0.031 0.000 RECIPROCAL CELL : 0.14107 0.06112 0.11352 90.000 86.187 90.000 VOLUME (A**3) : 1023.928 H K L TH(OBS) TH-ZERO TH(CALC) DIFF. 1 1 0 13.584 13.601 13.613 -0.012 1 0 -1 15.498 15.515 15.515 0.001 1 2 0 16.528 16.545 16.547 -0.002 1 1 1 17.430 17.447 17.435 0.012 1 2 -1 18.928 18.945 18.950 -0.005 1 2 1 19.808 19.825 19.824 0.001 0 0 2 20.148 20.165 20.160 0.006 0 1 2 20.852 20.869 20.885 -0.016 1 3 -1 22.539 22.556 22.542 0.014 1 1 -2 23.680 23.697 23.694 0.003 0 4 1 23.982 23.999 23.987 0.012 1 1 2 25.088 25.105 25.099 0.007 1 4 1 27.412 27.429 27.445 -0.016 2 1 1 28.272 28.289 28.289 0.000 0 4 2 29.786 29.803 29.809 -0.005 M(20) = 38.76 F(20) = 75.57 ( 0.0056, 47) Final Rp on the .prf = 0.2130882 =============================================================================== CELL PROPOSALS sorted by increasing volume : =============================================================================== Rp Vol Vol/V1 Ind Nsol a b c alpha beta gamma 0.246 484.800 1.00 14 2 8.1348 6.7610 8.9450 90.000 99.793 90.000 0.219 558.055 1.15 14 1 5.4057 14.0648 7.4106 90.000 97.921 90.000 0.244 573.766 1.18 16 1 9.4149 3.6318 16.8481 90.000 95.140 90.000 0.245 573.837 1.18 16 2 18.5584 3.6316 9.4141 90.000 115.253 90.000 0.208 788.173 1.63 14 1 19.7284 5.1589 7.8138 90.000 97.657 90.000 0.247 788.738 1.63 15 1 13.2362 6.7615 9.1277 90.000 105.087 90.000 0.230 802.217 1.65 16 1 5.4244 11.0430 14.9589 90.000 116.456 90.000 0.230 802.269 1.65 16 1 14.0309 11.0427 5.4247 90.000 107.346 90.000 0.234 811.137 1.67 16 1 13.7627 9.3724 6.6121 90.000 108.003 90.000 0.236 811.502 1.67 16 1 13.2178 9.3683 6.6561 90.000 100.075 90.000 0.236 811.579 1.67 16 2 13.7206 9.3693 6.6555 90.000 108.456 90.000 0.249 811.751 1.67 15 1 10.3467 5.8397 13.4787 90.000 94.631 90.000 0.242 815.920 1.68 13 2 5.2376 11.9699 13.3810 90.000 103.443 90.000 0.210 816.509 1.68 16 1 6.6063 12.1387 11.2478 90.000 115.144 90.000 0.202 817.668 1.69 16 1 6.6399 12.1007 10.3366 90.000 100.092 90.000 0.183 819.400 1.69 16 2 10.3974 12.1771 6.5736 90.000 100.094 90.000 0.183 819.527 1.69 16 2 11.2853 12.1794 6.5734 90.000 114.898 90.000 0.203 819.895 1.69 13 1 14.2366 9.6434 5.9888 90.000 94.291 90.000 0.231 822.035 1.70 13 3 8.2422 7.0907 14.1380 90.000 95.801 90.000 0.232 822.044 1.70 13 1 15.6263 7.0922 8.2410 90.000 115.834 90.000 0.207 824.081 1.70 15 1 6.6659 12.9773 9.9765 90.000 107.275 90.000 0.222 828.084 1.71 12 1 19.7028 5.4135 7.8342 90.000 97.693 90.000 0.228 830.786 1.71 13 1 7.7768 5.4338 19.8429 90.000 97.785 90.000 0.243 833.146 1.72 12 1 10.5457 6.8528 11.7247 90.000 100.494 90.000 0.229 834.871 1.72 15 3 14.5958 5.8601 10.6846 90.000 114.000 90.000 0.207 841.129 1.74 16 2 13.1254 11.2087 5.7230 90.000 92.552 90.000 0.207 841.390 1.74 16 1 14.5481 11.2109 5.7254 90.000 115.704 90.000 0.239 842.314 1.74 14 1 10.8077 6.5071 12.0659 90.000 96.952 90.000 0.235 842.861 1.74 15 1 5.7309 11.2559 13.0803 90.000 92.640 90.000 0.248 846.021 1.75 17 1 7.1088 13.2221 9.8329 90.000 113.740 90.000 0.214 846.208 1.75 15 1 5.8614 16.3619 9.6341 90.000 113.671 90.000 0.216 849.904 1.75 15 2 9.7443 16.2678 5.8606 90.000 113.816 90.000 0.230 851.000 1.76 16 2 10.3851 5.4707 15.1307 90.000 98.129 90.000 0.225 867.367 1.79 14 2 7.2379 9.3770 14.1939 90.000 115.792 90.000 0.228 867.721 1.79 15 1 7.2414 9.3767 14.2212 90.000 116.025 90.000 0.228 867.814 1.79 15 1 7.2412 9.3772 12.8197 90.000 94.488 90.000 0.246 868.645 1.79 15 2 6.5377 7.2354 18.9734 90.000 104.569 90.000 0.245 871.787 1.80 13 2 12.0259 9.4730 7.6537 90.000 90.992 90.000 0.250 871.850 1.80 15 1 6.5261 7.2336 19.0509 90.000 104.200 90.000 0.234 872.556 1.80 14 1 10.2384 8.7253 10.6651 90.000 113.676 90.000 0.245 873.334 1.80 14 1 17.5527 10.1754 4.9989 90.000 101.997 90.000 0.224 875.708 1.81 14 2 10.2217 4.9947 17.3760 90.000 99.198 90.000 0.228 879.538 1.81 17 1 17.7567 6.9779 7.1125 90.000 93.591 90.000 0.237 879.644 1.81 13 1 11.4464 8.2014 9.3802 90.000 92.645 90.000 0.228 879.690 1.81 17 1 7.1135 6.9786 19.5380 90.000 114.908 90.000 0.228 879.717 1.81 17 1 18.7086 6.9790 7.1134 90.000 108.706 90.000 0.228 880.626 1.82 16 1 19.5607 6.9942 7.0934 90.000 114.846 90.000 0.237 881.805 1.82 16 1 17.7842 7.0140 7.0841 90.000 93.704 90.000 0.230 881.982 1.82 14 1 15.5275 5.1020 11.1642 90.000 94.276 90.000 0.228 882.517 1.82 13 1 15.5623 5.0967 11.1572 90.000 94.238 90.000 0.246 884.969 1.83 14 2 9.4926 4.9712 18.7855 90.000 93.348 90.000 0.223 885.297 1.83 15 2 11.4430 6.5216 12.3763 90.000 106.560 90.000 0.243 887.587 1.83 15 3 14.3132 7.8462 8.5553 90.000 112.512 90.000 0.246 893.872 1.84 15 1 6.4488 14.2008 10.0830 90.000 104.524 90.000 0.247 894.098 1.84 15 2 17.6500 7.7851 6.5188 90.000 93.455 90.000 0.246 894.380 1.84 15 1 6.5191 7.7866 18.4434 90.000 107.193 90.000 0.248 905.294 1.87 15 2 15.0810 5.4196 11.1265 90.000 95.442 90.000 0.235 905.307 1.87 15 2 12.7828 7.1005 10.7772 90.000 112.258 90.000 0.238 910.406 1.88 14 2 5.8597 9.6568 18.0774 90.000 117.126 90.000 0.236 910.501 1.88 14 1 16.4601 9.6571 5.8603 90.000 102.202 90.000 0.246 911.842 1.88 14 3 7.6499 6.7615 17.9268 90.000 100.464 90.000 0.240 916.423 1.89 14 1 9.6867 6.1865 17.3875 90.000 118.417 90.000 0.182 918.231 1.89 14 1 13.6796 6.2716 11.4564 90.000 110.896 90.000 0.184 918.273 1.89 14 2 14.3727 6.2723 11.4545 90.000 117.220 90.000 0.226 918.327 1.89 15 2 12.5466 6.5072 11.5980 90.000 104.110 90.000 0.216 919.211 1.90 17 1 14.6283 9.3760 7.5330 90.000 117.167 90.000 0.215 919.409 1.90 17 2 7.5338 9.3768 13.0429 90.000 93.756 90.000 0.245 919.651 1.90 15 1 14.0135 5.0229 13.1212 90.000 95.287 90.000 0.249 923.118 1.90 13 1 18.7038 8.8153 6.3136 90.000 117.530 90.000 0.233 924.360 1.91 14 2 10.0652 8.1865 12.8082 90.000 118.854 90.000 0.232 925.086 1.91 13 1 6.3188 8.8142 17.0707 90.000 103.342 90.000 0.243 925.938 1.91 14 1 10.3647 5.3454 17.2798 90.000 104.722 90.000 0.220 926.178 1.91 15 2 10.3196 11.9431 7.6065 90.000 98.906 90.000 0.249 927.685 1.91 15 1 9.1190 7.2330 16.3370 90.000 120.580 90.000 0.248 927.784 1.91 15 1 14.0877 7.2333 9.1200 90.000 93.301 90.000 0.233 928.278 1.91 15 1 9.0502 6.5069 15.8031 90.000 94.071 90.000 0.207 928.649 1.92 16 2 13.0700 5.3736 13.2488 90.000 93.613 90.000 0.247 928.951 1.92 15 2 13.0107 9.3967 7.7357 90.000 100.819 90.000 0.222 929.474 1.92 16 2 11.2157 6.9425 12.1420 90.000 100.547 90.000 0.236 929.495 1.92 16 1 7.7568 9.3767 13.0236 90.000 101.112 90.000 0.237 929.693 1.92 16 1 7.7574 9.3776 13.8155 90.000 112.325 90.000 0.209 929.910 1.92 16 1 15.1498 8.8894 7.0062 90.000 99.752 90.000 0.241 930.170 1.92 13 2 10.2234 6.8889 13.2243 90.000 92.898 90.000 0.217 930.978 1.92 15 2 15.1129 8.8910 7.0319 90.000 99.838 90.000 0.218 931.040 1.92 15 1 15.5424 8.8911 7.0316 90.000 106.631 90.000 0.236 933.197 1.92 13 1 11.5022 9.6483 9.5136 90.000 117.885 90.000 0.209 933.676 1.93 16 2 9.4691 13.0458 7.6333 90.000 98.047 90.000 0.246 934.013 1.93 14 1 10.2538 6.8884 13.2434 90.000 93.135 90.000 0.244 934.539 1.93 13 1 7.4563 7.8230 16.1865 90.000 98.195 90.000 0.203 935.680 1.93 16 3 12.6487 9.3768 7.9050 90.000 93.635 90.000 0.204 935.720 1.93 16 1 14.4846 9.3768 7.9053 90.000 119.367 90.000 0.229 936.807 1.93 13 1 9.0750 14.0652 8.0295 90.000 113.929 90.000 0.233 937.188 1.93 17 1 15.2812 11.6477 5.9906 90.000 118.486 90.000 0.233 937.240 1.93 17 1 14.2273 11.6484 5.9905 90.000 109.255 90.000 0.234 937.248 1.93 17 2 13.4943 11.6492 5.9900 90.000 95.521 90.000 0.247 938.100 1.94 14 1 14.6010 10.1765 7.0374 90.000 116.215 90.000 0.194 938.806 1.94 15 1 5.3707 10.1818 17.2066 90.000 93.840 90.000 0.232 938.892 1.94 14 2 10.7503 7.8414 11.2359 90.000 97.576 90.000 0.223 940.077 1.94 16 1 9.8527 10.1757 10.4332 90.000 116.009 90.000 0.243 940.250 1.94 14 1 10.3442 10.1809 9.4619 90.000 109.335 90.000 0.199 941.624 1.94 16 1 9.1214 7.3395 14.0890 90.000 93.326 90.000 0.240 942.911 1.94 13 3 10.2849 7.8331 11.8563 90.000 99.189 90.000 0.185 943.149 1.95 17 3 14.0836 7.3385 9.1375 90.000 92.939 90.000 0.223 943.153 1.95 14 2 13.2314 5.0688 14.9419 90.000 109.752 90.000 0.222 943.420 1.95 14 1 13.2303 5.0701 16.2689 90.000 120.174 90.000 0.220 943.466 1.95 16 2 15.8325 7.3391 9.1402 90.000 117.336 90.000 0.219 943.497 1.95 16 6 14.1882 7.3400 9.1396 90.000 97.577 90.000 0.248 943.718 1.95 14 1 18.7855 8.7651 5.9345 90.000 105.032 90.000 0.209 945.307 1.95 16 1 10.0822 8.1475 13.2506 90.000 119.718 90.000 0.249 945.354 1.95 14 2 12.6686 10.2133 7.3127 90.000 92.384 90.000 0.208 945.405 1.95 16 2 10.0823 8.1483 12.0323 90.000 106.980 90.000 0.248 945.459 1.95 15 1 18.4232 5.3859 9.8249 90.000 104.112 90.000 0.238 945.900 1.95 14 1 5.9410 8.7641 19.4495 90.000 110.927 90.000 0.233 946.717 1.95 15 3 12.4758 10.1192 7.5057 90.000 92.423 90.000 0.233 946.799 1.95 15 3 7.5061 10.1194 14.2856 90.000 119.243 90.000 0.200 946.870 1.95 16 2 8.9292 16.2678 6.5965 90.000 98.820 90.000 0.249 947.530 1.95 14 1 6.2667 10.1843 15.8818 90.000 110.803 90.000 0.247 948.589 1.96 13 1 18.1625 6.6200 8.1185 90.000 103.645 90.000 0.240 948.605 1.96 14 1 13.3780 6.6094 10.7884 90.000 96.048 90.000 0.196 948.728 1.96 16 2 17.6474 6.6502 9.0485 90.000 116.696 90.000 0.247 948.748 1.96 13 1 8.1187 6.6207 18.0623 90.000 102.254 90.000 0.195 948.834 1.96 16 1 9.0483 6.6503 15.8077 90.000 94.049 90.000 0.228 949.816 1.96 16 2 6.0922 11.9799 13.0876 90.000 96.078 90.000 0.227 949.875 1.96 16 1 6.0922 11.9805 15.0080 90.000 119.871 90.000 0.227 949.954 1.96 16 3 13.8398 11.9808 6.0927 90.000 109.893 90.000 0.220 950.037 1.96 15 1 15.3569 8.7301 7.1469 90.000 97.467 90.000 0.222 952.132 1.96 14 1 11.9211 5.6276 14.3490 90.000 98.470 90.000 0.243 953.297 1.97 16 1 15.0025 5.7225 12.8004 90.000 119.834 90.000 0.242 953.404 1.97 16 4 12.8032 5.7219 14.0667 90.000 112.304 90.000 0.248 953.703 1.97 14 1 9.7738 10.4074 10.7556 90.000 119.342 90.000 0.241 954.694 1.97 14 1 6.3870 10.1968 15.6920 90.000 110.906 90.000 0.244 955.208 1.97 14 1 10.5459 5.9541 15.9282 90.000 107.241 90.000 0.223 955.460 1.97 13 1 10.7754 6.2452 14.2088 90.000 92.198 90.000 0.202 956.273 1.97 15 4 17.7551 5.6519 10.0765 90.000 108.968 90.000 0.237 958.347 1.98 15 2 7.7651 7.0013 17.8654 90.000 99.357 90.000 0.247 959.053 1.98 14 3 6.1507 11.9813 13.0743 90.000 95.500 90.000 0.246 959.232 1.98 14 2 6.1503 11.9842 13.9056 90.000 110.626 90.000 0.234 959.245 1.98 15 1 18.0446 5.1404 11.6763 90.000 117.664 90.000 0.228 959.818 1.98 14 2 18.7624 5.1655 10.8344 90.000 113.926 90.000 0.228 959.854 1.98 14 2 10.8349 5.1656 17.4507 90.000 100.652 90.000 0.228 959.935 1.98 14 1 11.1099 5.7405 17.1320 90.000 118.532 90.000 0.236 961.063 1.98 14 1 17.1166 5.7518 11.0620 90.000 118.058 90.000 0.238 961.091 1.98 14 2 15.4209 5.7268 10.8858 90.000 91.315 90.000 0.238 961.156 1.98 12 1 10.4871 7.8268 12.0730 90.000 104.085 90.000 0.244 961.165 1.98 13 1 18.7587 5.1398 10.9205 90.000 114.096 90.000 0.250 962.493 1.99 14 1 9.7738 10.5035 10.7554 90.000 119.342 90.000 0.248 963.740 1.99 15 1 13.0350 10.0799 7.4814 90.000 101.356 90.000 0.225 964.740 1.99 14 3 5.1465 16.4034 11.5593 90.000 98.648 90.000 0.204 964.816 1.99 16 1 14.7010 11.5730 6.0654 90.000 110.779 90.000 0.230 965.615 1.99 14 1 5.1464 16.4322 11.9173 90.000 106.636 90.000 0.232 966.467 1.99 15 1 13.3157 11.9827 6.1975 90.000 102.219 90.000 0.244 967.521 2.00 16 1 11.2506 12.7800 6.8293 90.000 99.826 90.000 0.250 967.539 2.00 15 1 9.7704 10.5610 10.7538 90.000 119.314 90.000 0.244 967.597 2.00 16 2 12.1262 12.7806 6.8287 90.000 113.895 90.000 0.225 967.995 2.00 16 3 18.0667 8.3162 6.8232 90.000 109.223 90.000 0.225 968.130 2.00 16 2 6.8245 8.3156 17.0822 90.000 92.935 90.000 0.250 968.503 2.00 14 1 18.7697 5.2861 9.7693 90.000 92.309 90.000 0.249 968.618 2.00 13 1 12.2307 6.7749 13.0496 90.000 116.391 90.000 0.249 968.636 2.00 13 1 12.2309 6.7748 13.3431 90.000 118.826 90.000 0.176 969.823 2.00 16 2 8.1389 13.5205 8.9430 90.000 99.771 90.000 0.208 970.305 2.00 12 2 9.3991 14.0651 7.4338 90.000 99.123 90.000 0.242 970.892 2.00 14 1 15.2857 5.4314 13.0154 90.000 116.039 90.000 0.241 970.900 2.00 14 2 15.1103 5.4317 13.0165 90.000 114.660 90.000 0.239 971.074 2.00 14 1 14.1521 7.3287 9.3664 90.000 91.610 90.000 0.240 971.531 2.00 15 1 13.2381 5.0403 15.0824 90.000 105.118 90.000 0.232 971.544 2.00 15 2 18.9074 4.9624 10.4376 90.000 97.224 90.000 0.232 971.676 2.00 12 2 11.4565 6.6364 14.3731 90.000 117.231 90.000 0.225 972.556 2.01 16 2 11.0588 6.7179 13.1406 90.000 94.974 90.000 0.230 973.783 2.01 16 1 11.9333 5.0493 16.2877 90.000 97.151 90.000 0.229 973.898 2.01 16 1 18.9562 5.0489 11.9361 90.000 121.514 90.000 0.216 974.513 2.01 13 1 9.4161 14.0052 7.4924 90.000 99.499 90.000 0.247 975.377 2.01 15 3 6.7183 12.1051 12.3831 90.000 104.411 90.000 0.247 975.451 2.01 15 2 12.5317 12.1061 6.7189 90.000 106.870 90.000 0.235 976.917 2.02 12 1 13.7837 6.0395 11.7904 90.000 95.551 90.000 0.233 977.181 2.02 12 1 19.7017 6.3928 7.8302 90.000 97.754 90.000 0.243 977.907 2.02 14 3 18.9884 5.3715 9.6127 90.000 94.130 90.000 0.248 977.934 2.02 15 3 6.7007 11.0386 14.7775 90.000 116.530 90.000 0.248 977.991 2.02 15 1 14.8692 11.0387 6.7006 90.000 117.223 90.000 0.249 978.252 2.02 15 1 6.7010 11.0405 13.2231 90.000 90.440 90.000 0.238 978.521 2.02 15 2 7.1319 8.8619 17.8097 90.000 119.620 90.000 0.226 978.736 2.02 14 1 15.0158 12.7797 5.9681 90.000 121.286 90.000 0.234 978.975 2.02 15 1 7.1316 8.8616 16.4195 90.000 109.364 90.000 0.244 979.099 2.02 15 1 10.7482 5.0710 18.9554 90.000 108.613 90.000 0.233 979.373 2.02 15 1 15.5695 8.8621 7.1395 90.000 96.179 90.000 0.225 979.712 2.02 17 1 8.0269 9.3768 13.4264 90.000 104.192 90.000 0.222 979.775 2.02 14 2 17.7137 5.6669 10.3569 90.000 109.537 90.000 0.214 980.471 2.02 16 1 10.3450 8.1857 12.0207 90.000 105.591 90.000 0.225 981.792 2.03 13 2 16.3438 5.2736 11.5951 90.000 100.769 90.000 0.236 983.752 2.03 15 1 14.1215 5.2782 13.2834 90.000 96.494 90.000 0.208 986.692 2.04 17 1 10.8328 7.7122 11.9125 90.000 97.509 90.000 0.247 987.542 2.04 15 1 11.8449 7.8092 10.7851 90.000 98.148 90.000 0.220 987.543 2.04 17 1 12.6028 5.8352 14.1012 90.000 107.766 90.000 0.196 987.842 2.04 16 4 11.5137 7.8341 11.8297 90.000 112.214 90.000 0.220 989.365 2.04 13 2 8.4807 15.5043 7.5549 90.000 95.145 90.000 0.216 991.325 2.04 17 2 18.6727 6.5167 8.4754 90.000 106.009 90.000 0.232 992.158 2.05 15 1 11.1708 5.1744 17.3042 90.000 97.280 90.000 0.225 992.981 2.05 15 1 6.8925 9.6811 15.7451 90.000 109.066 90.000 0.244 993.121 2.05 13 1 7.2977 11.1273 12.4653 90.000 101.149 90.000 0.235 993.572 2.05 14 1 7.1282 16.3606 8.5556 90.000 95.259 90.000 0.222 994.194 2.05 15 1 6.8898 9.6878 14.9958 90.000 96.649 90.000 0.248 994.198 2.05 14 2 8.3134 9.0344 14.3561 90.000 112.772 90.000 0.249 994.250 2.05 14 2 13.5192 9.0362 8.3131 90.000 101.755 90.000 0.244 994.251 2.05 13 1 10.7383 5.4028 19.6251 90.000 119.163 90.000 0.220 994.851 2.05 15 1 7.1193 16.4001 8.5570 90.000 95.285 90.000 0.206 994.863 2.05 17 3 18.3309 6.5071 8.4801 90.000 100.413 90.000 0.206 994.910 2.05 17 4 8.4813 6.5071 18.7537 90.000 105.996 90.000 0.154 995.131 2.05 18 2 11.9032 7.8156 10.7591 90.000 96.170 90.000 0.239 996.083 2.05 16 1 11.7049 6.7344 13.4457 90.000 109.978 90.000 0.239 996.382 2.06 16 1 11.7084 6.7341 14.4982 90.000 119.351 90.000 0.246 997.458 2.06 15 1 10.2330 4.9932 19.5955 90.000 94.986 90.000 0.247 997.490 2.06 15 1 10.0779 6.8759 14.4086 90.000 92.507 90.000 0.231 998.685 2.06 15 1 10.7998 7.7082 12.6289 90.000 108.206 90.000 0.232 998.737 2.06 15 1 10.8020 7.7075 13.8156 90.000 119.740 90.000 0.208 998.846 2.06 15 1 10.7593 7.7498 12.0555 90.000 96.455 90.000 0.214 1000.366 2.06 15 1 7.3789 7.2291 19.2604 90.000 103.174 90.000 0.215 1000.385 2.06 15 1 18.9904 7.2292 7.3788 90.000 99.054 90.000 0.247 1001.844 2.07 14 1 5.4369 14.0644 13.1105 90.000 92.112 90.000 0.248 1001.846 2.07 15 1 11.7121 10.5613 9.0651 90.000 116.688 90.000 0.248 1001.873 2.07 14 1 5.4412 14.0646 14.0004 90.000 110.758 90.000 0.248 1002.442 2.07 15 2 10.1956 11.9806 8.2120 90.000 92.070 90.000 0.221 1002.562 2.07 16 1 10.7449 7.8039 13.7004 90.000 119.227 90.000 0.221 1002.599 2.07 16 4 10.7450 7.8038 12.6262 90.000 108.739 90.000 0.246 1003.463 2.07 14 3 8.6599 19.3968 6.0719 90.000 100.311 90.000 0.246 1003.485 2.07 14 2 9.6448 19.3974 6.0720 90.000 117.948 90.000 0.243 1003.745 2.07 13 1 10.0758 5.9313 17.3377 90.000 104.366 90.000 0.247 1003.831 2.07 16 1 10.2047 11.9187 8.2603 90.000 92.345 90.000 0.228 1003.997 2.07 16 3 7.5909 6.8945 19.6214 90.000 102.121 90.000 0.239 1004.685 2.07 15 2 5.4351 9.4694 19.6464 90.000 96.474 90.000 0.228 1004.862 2.07 15 2 12.7999 13.4728 6.5223 90.000 116.698 90.000 0.185 1004.977 2.07 17 1 13.1453 6.7099 11.4234 90.000 94.124 90.000 0.245 1005.125 2.07 14 1 12.8914 6.5068 12.0872 90.000 97.539 90.000 0.233 1005.143 2.07 15 2 17.2890 8.2013 7.1230 90.000 95.615 90.000 0.229 1005.209 2.07 15 2 17.0803 5.4835 10.7580 90.000 93.944 90.000 0.206 1006.991 2.08 14 1 9.6496 19.5217 6.0547 90.000 118.006 90.000 0.250 1007.174 2.08 16 1 10.1245 9.7614 10.8960 90.000 110.723 90.000 0.206 1007.367 2.08 14 2 8.6560 19.5214 6.0568 90.000 100.173 90.000 0.248 1007.615 2.08 14 1 9.9840 6.4169 16.0871 90.000 102.137 90.000 0.236 1007.771 2.08 14 1 6.8817 8.8146 16.9094 90.000 100.734 90.000 0.223 1007.880 2.08 17 1 5.7260 13.5249 14.5163 90.000 116.294 90.000 0.247 1007.947 2.08 14 1 9.9848 6.4172 17.0575 90.000 112.746 90.000 0.235 1007.988 2.08 16 2 6.8186 11.0434 13.5602 90.000 99.190 90.000 0.235 1008.083 2.08 16 2 6.8204 11.0437 14.1697 90.000 109.176 90.000 0.225 1009.144 2.08 14 2 14.4143 6.9671 11.4303 90.000 118.463 90.000 0.249 1009.167 2.08 14 1 14.1864 7.3394 9.7769 90.000 97.539 90.000 0.248 1009.212 2.08 14 1 16.1377 7.3402 9.7760 90.000 119.366 90.000 0.241 1009.847 2.08 14 1 9.4809 6.4265 16.8667 90.000 100.688 90.000 0.231 1010.411 2.08 14 2 12.0010 16.2678 5.4260 90.000 107.481 90.000 0.232 1010.478 2.08 14 1 11.5912 16.2684 5.4261 90.000 99.042 90.000 0.241 1010.811 2.09 13 3 13.2304 5.4319 14.9453 90.000 109.762 90.000 0.242 1011.091 2.09 13 1 16.2680 5.4339 13.2297 90.000 120.167 90.000 0.246 1011.206 2.09 14 1 11.3118 6.0965 14.7004 90.000 94.086 90.000 0.249 1011.762 2.09 15 1 19.8226 9.0556 5.9575 90.000 108.899 90.000 0.249 1011.776 2.09 15 1 19.5412 9.0558 5.9580 90.000 106.333 90.000 0.249 1012.177 2.09 15 1 18.7591 9.0588 5.9581 90.000 91.415 90.000 0.239 1012.729 2.09 14 1 10.7489 9.4555 9.9664 90.000 91.207 90.000 0.241 1013.641 2.09 15 2 17.1157 6.4255 9.2423 90.000 94.252 90.000 0.230 1013.650 2.09 14 2 11.3004 7.3917 12.8045 90.000 108.607 90.000 0.207 1013.770 2.09 15 2 19.2197 6.4148 8.5297 90.000 105.421 90.000 0.211 1013.903 2.09 15 1 18.8579 6.4105 8.5301 90.000 100.508 90.000 0.243 1014.087 2.09 16 1 14.0124 13.5243 5.7617 90.000 111.761 90.000 0.225 1014.738 2.09 16 1 18.8330 6.4238 9.2705 90.000 115.207 90.000 0.242 1014.969 2.09 14 1 13.0337 5.4464 15.4100 90.000 111.899 90.000 0.240 1015.448 2.09 14 3 11.3209 12.1415 7.4312 90.000 96.208 90.000 0.224 1015.839 2.10 13 1 11.4627 7.0894 12.5232 90.000 93.436 90.000 0.159 1015.961 2.10 16 1 5.4221 16.3886 11.9809 90.000 107.391 90.000 0.238 1016.059 2.10 15 4 9.7532 11.1104 9.9099 90.000 108.884 90.000 0.203 1016.589 2.10 17 2 12.3731 6.3129 13.0670 90.000 95.123 90.000 0.247 1016.656 2.10 15 3 7.3054 9.3766 14.8933 90.000 94.774 90.000 0.247 1016.656 2.10 15 3 7.3055 9.3768 16.0327 90.000 112.226 90.000 0.250 1016.812 2.10 13 1 6.1498 12.7045 14.9713 90.000 119.625 90.000 0.214 1016.974 2.10 16 2 10.0065 7.8092 13.1656 90.000 98.696 90.000 0.238 1017.135 2.10 15 3 8.8486 5.9886 19.3861 90.000 98.063 90.000 0.249 1018.623 2.10 15 5 9.1971 7.6996 16.4366 90.000 118.938 90.000 0.221 1018.878 2.10 15 1 16.0721 5.0875 13.4747 90.000 112.370 90.000 0.168 1019.202 2.10 16 1 15.8023 7.1448 9.0501 90.000 94.079 90.000 0.216 1019.292 2.10 15 2 12.7960 7.4255 11.3483 90.000 109.039 90.000 0.229 1019.454 2.10 15 3 11.1470 6.9172 13.6356 90.000 104.158 90.000 0.219 1020.237 2.10 15 1 13.4920 5.0879 16.6188 90.000 116.580 90.000 0.218 1020.558 2.11 14 1 8.5145 11.7147 10.2324 90.000 89.348 90.000 0.250 1021.066 2.11 14 1 16.0153 7.0987 9.0167 90.000 95.085 90.000 0.247 1021.209 2.11 14 1 19.7445 7.0520 7.3624 90.000 95.014 90.000 0.228 1021.306 2.11 16 3 6.5072 13.5611 12.8773 90.000 116.004 90.000 0.228 1021.352 2.11 16 1 11.6052 13.5613 6.5076 90.000 94.253 90.000 0.227 1021.740 2.11 14 1 7.3650 14.0643 9.8978 90.000 94.742 90.000 0.242 1022.059 2.11 15 1 13.4952 5.0872 16.6902 90.000 116.877 90.000 0.229 1022.073 2.11 14 1 13.3039 5.4622 14.3782 90.000 101.982 90.000 0.198 1022.431 2.11 15 1 7.5414 7.2294 19.0672 90.000 100.412 90.000 0.198 1022.551 2.11 16 1 8.8492 16.2660 7.1212 90.000 93.984 90.000 0.240 1022.667 2.11 16 1 13.0996 5.9460 14.0645 90.000 111.010 90.000 0.230 1023.456 2.11 13 1 20.0314 5.5612 9.2569 90.000 97.026 90.000 0.202 1023.959 2.11 16 1 8.7515 19.5913 6.0546 90.000 99.461 90.000 0.220 1024.116 2.11 16 3 6.5113 13.5585 12.8805 90.000 115.762 90.000 0.220 1024.127 2.11 16 1 11.6362 13.5585 6.5115 90.000 94.511 90.000 0.238 1024.328 2.11 14 3 13.9179 5.8901 13.3629 90.000 110.760 90.000 0.248 1024.435 2.11 15 1 10.5815 16.5837 6.0070 90.000 103.625 90.000 0.202 1024.480 2.11 15 1 10.9005 9.4230 10.7979 90.000 112.526 90.000 0.227 1024.684 2.11 15 1 15.9393 7.0951 9.0951 90.000 94.985 90.000 0.201 1024.919 2.11 16 5 14.1176 6.0333 12.0778 90.000 94.940 90.000 0.231 1025.006 2.11 15 1 8.6976 6.8441 18.9389 90.000 114.605 90.000 0.231 1025.166 2.11 15 1 17.2348 6.8457 8.6985 90.000 92.684 90.000 0.246 1025.294 2.11 14 1 8.9015 6.7595 17.1456 90.000 96.360 90.000 0.248 1025.789 2.12 16 2 14.0994 13.4365 5.8357 90.000 111.896 90.000 0.223 1025.959 2.12 16 2 12.8965 13.5205 6.5285 90.000 115.675 90.000 0.223 1025.980 2.12 16 3 6.5285 13.5200 11.6620 90.000 94.631 90.000 0.119 1026.984 2.12 18 1 7.1103 16.3860 8.8344 90.000 93.844 90.000 0.194 1027.029 2.12 16 1 17.6453 7.1995 9.0498 90.000 116.704 90.000 0.234 1027.105 2.12 13 2 17.7427 8.5201 7.7191 90.000 118.333 90.000 0.236 1027.158 2.12 13 1 17.1206 8.5209 7.7188 90.000 114.191 90.000 0.169 1027.403 2.12 15 2 5.4855 16.3788 11.8175 90.000 104.616 90.000 0.237 1027.580 2.12 17 1 14.7435 13.5071 5.8456 90.000 118.028 90.000 0.205 1027.845 2.12 14 2 10.9768 16.3748 5.8548 90.000 102.390 90.000 =============================================================================== CELL PROPOSALS most frequently found : =============================================================================== Rp Vol Vol/V1 Ind Nsol a b c alpha beta gamma 0.224 1094.754 1.00 16 8 15.3179 5.9661 13.4701 90.000 117.212 90.000 0.213 1102.421 1.01 15 8 12.2282 6.0003 15.5227 90.000 104.549 90.000 0.213 1192.268 1.09 15 8 6.4907 12.0264 15.2790 90.000 91.511 90.000 0.215 1072.202 0.98 15 7 7.4667 8.8280 17.8178 90.000 114.088 90.000 0.214 1091.358 1.00 16 7 13.2236 7.2702 12.2351 90.000 111.903 90.000 0.191 1046.848 0.96 18 7 11.8523 13.0748 6.7918 90.000 95.939 90.000 0.195 1172.475 1.07 16 6 12.1529 11.9744 8.0761 90.000 93.946 90.000 0.219 943.497 0.86 16 6 14.1882 7.3400 9.1396 90.000 97.577 90.000 0.199 1180.502 1.08 16 5 12.0405 6.9143 14.2455 90.000 95.499 90.000 0.208 1167.896 1.07 16 5 8.0946 13.5498 10.6505 90.000 91.158 90.000 0.240 1125.315 1.03 15 5 7.4588 14.0653 12.1320 90.000 117.853 90.000 0.214 1091.768 1.00 15 5 7.3648 11.0408 14.6371 90.000 113.466 90.000 0.204 1156.985 1.06 17 5 13.9936 6.5014 13.2322 90.000 106.039 90.000 0.229 1185.701 1.08 15 5 11.4534 16.3752 6.3405 90.000 94.373 90.000 0.215 1144.865 1.05 14 5 7.6345 16.3719 9.3063 90.000 100.190 90.000 0.212 1176.865 1.08 16 5 11.1399 8.8053 12.8281 90.000 110.728 90.000 0.213 1173.676 1.07 14 5 19.1394 12.0487 5.3894 90.000 109.203 90.000 0.238 1100.185 1.00 15 5 8.8524 9.6180 12.9449 90.000 93.426 90.000 0.211 1136.064 1.04 17 5 13.2130 10.1187 9.4094 90.000 115.439 90.000 0.216 1055.594 0.96 17 5 8.5620 6.5074 19.0968 90.000 97.206 90.000 0.201 1024.919 0.94 16 5 14.1176 6.0333 12.0778 90.000 94.940 90.000 0.218 1171.152 1.07 15 5 16.2382 8.1703 9.3911 90.000 109.951 90.000 0.249 1018.623 0.93 15 5 9.1971 7.6996 16.4366 90.000 118.938 90.000 0.217 1143.681 1.04 16 4 10.8310 8.1137 13.4279 90.000 104.258 90.000 0.219 1122.597 1.03 14 4 14.5140 7.9210 9.7736 90.000 92.458 90.000 0.240 1140.655 1.04 16 4 18.6867 6.9253 8.9376 90.000 99.533 90.000 0.227 1109.471 1.01 13 4 14.2165 7.3400 10.7467 90.000 98.363 90.000 0.187 1134.006 1.04 16 4 7.5432 9.3766 16.3240 90.000 100.834 90.000 0.229 1075.003 0.98 14 4 13.1205 5.1003 17.0401 90.000 109.484 90.000 0.240 1049.461 0.96 16 4 7.2365 13.5219 10.9132 90.000 100.654 90.000 =============================================================================== CELLS with small Rp2 + largest number of peak indexed =============================================================================== Rp2 is on peak indexed only, and width divided by 3, while Rp is on all peaks, and large width. Rp2 Vol Vol/V1 Ind Nsol a b c alpha beta gamma 0.209 1147.966 1.00 16 3 9.8362 5.9787 19.5618 90.000 93.721 90.000 0.261 1176.938 1.03 15 3 11.1405 8.8057 13.6941 90.000 118.826 90.000 0.238 1188.026 1.03 15 2 6.5576 10.1297 18.0235 90.000 97.113 90.000 0.163 1178.411 1.03 15 1 7.1943 11.9789 15.8128 90.000 120.147 90.000 0.218 1167.625 1.02 15 1 12.8396 7.8786 11.5965 90.000 95.528 90.000 0.197 1208.734 1.05 15 2 6.5213 13.4365 15.3934 90.000 116.344 90.000 0.217 1139.186 0.99 15 1 14.5050 5.8502 14.8862 90.000 115.601 90.000 0.249 1094.754 0.95 15 8 15.3179 5.9661 13.4701 90.000 117.212 90.000 0.288 1126.975 0.98 15 1 7.2452 13.0753 12.1446 90.000 101.604 90.000 0.288 1130.410 0.98 15 1 15.3712 6.5343 12.8703 90.000 119.019 90.000 0.218 1050.652 0.92 15 1 8.5680 6.5384 19.7792 90.000 108.522 90.000 0.180 1019.202 0.89 15 1 15.8023 7.1448 9.0501 90.000 94.079 90.000 0.126 1026.984 0.89 15 1 7.1103 16.3860 8.8344 90.000 93.844 90.000 0.234 1046.836 0.91 14 1 6.7924 13.0743 13.0362 90.000 115.278 90.000 0.295 1158.781 1.01 14 1 13.2263 10.6668 8.2165 90.000 91.553 90.000 =============================================================================== THE SELECTION OF THE "BEST" CELL smallest Rp ? smallest V ? highest symmetry ? etc ? DEPENDS ON YOU, EXCLUSIVELY. =============================================================================== 17-Feb-2004 10 hour 51 min 44 Sec