SAINT V7.16B SAINT C:\SAXI\SAINT32\Int.slm /BATCH /NOPROMPT /SCALES:1020 Time decay correction ====================================== 01/16/07 10:59:58 Computing time decay correction from X:\jain001\work\jain001m.raw Total reflections read from input file: 19283 Uninterpretable reflections (excluded): 0 Number of multi-component refls (excluded): 0 Number below I/sigma threshold (excluded): 15819 Remaining number considered for time decay: 3464 TIME DECAY RESULTS: Decay rate vs (ST/L)**2 Decay StdDev Slope StdDev #Points Correl Status 0.0000 0.0000 0.0000 0.0000 0 0.0000 0 Applying decay correction from X:\jain001\work\jain001m.raw to X:\jain001\work\jain001t.raw Number of reflections read from input file = 19283 Number of reflections corrected and written = 19283 Average, min, max correction factor: 1.000 1.000 1.000 Computing Reflection File Statistics ========== 01/16/07 11:00:13 jain001 Point group sequence #, name: 10, "mmm" Number of symmetry operators: 8 1 0 0 -1 0 0 -1 0 0 1 0 0 -1 0 0 1 0 0 1 0 0 -1 0 0 0 1 0 0-1 0 0 1 0 0-1 0 0-1 0 0 1 0 0-1 0 0 1 0 0 0 1 0 0 1 0 0-1 0 0-1 0 0-1 0 0-1 0 0 1 0 0 1 Orientation read from X:\jain001\jain0011.p4p: Cell constants computed from input file: 7.883 13.467 16.190 90.000 90.000 90.000 ............................. Statistics for reflections in X:\jain001\work\jain001t.raw File is in BrukerAXS area detector ASCII format File contains a single sample component Number of spots read from file = 19283 Det X # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 75 11 56 75 16.0 370.463 77.63 1.95 0.037 0.022 2.3 0.035 0.030 0.92 .17-.02 .04 .56 .38 .52 32.000 236 30 125 236 3.4 475.516 68.79 2.37 0.040 0.012 2.1 0.037 0.019 0.41 .05 .00-.01 .23 .23 .31 64.000 399 34 190 399 5.3 299.949 44.83 2.31 0.039 0.010 1.4 0.038 0.027 0.51 .04-.00-.01 .22 .26 .24 96.000 557 44 239 557 5.6 212.888 31.34 2.17 0.042 0.001 1.1 0.040 0.023 0.36 .02 .02-.01 .24 .27 .18 128.000 769 58 279 769 4.9 131.408 20.98 2.03 0.051 -0.004 0.9 0.051 0.026 0.32 .01 .01-.00 .24 .27 .16 160.000 995 71 344 995 7.7 101.966 16.78 1.98 0.057 -0.008 0.9 0.056 0.030 0.39 .01 .02-.01 .32 .31 .15 192.000 1137 95 372 1137 8.2 65.060 11.68 1.93 0.067 -0.011 0.7 0.064 0.050 0.61-.01 .01-.01 .33 .32 .14 224.000 1365 122 435 1365 15.6 43.855 8.55 1.87 0.081 -0.013 0.7 0.078 0.048 0.50 .00 .03-.01 .41 .37 .15 256.000 1578 148 463 1578 13.1 43.247 7.93 1.81 0.091 0.009 0.7 0.085 0.069 0.62-.00 .04-.02 .41 .37 .14 288.000 1645 169 490 1645 16.0 37.260 6.93 1.74 0.098 -0.006 0.7 0.094 0.061 0.48-.02 .03-.02 .43 .42 .16 320.000 1823 202 516 1823 19.7 27.864 5.90 1.60 0.120 -0.003 0.8 0.115 0.079 0.58 .01 .02-.02 .53 .48 .17 352.000 1911 237 547 1911 22.8 17.446 4.65 1.44 0.171 -0.008 0.9 0.161 0.105 0.52-.00 .04-.00 .59 .51 .19 384.000 1926 253 571 1926 32.3 11.603 3.95 1.27 0.236 -0.008 1.0 0.221 0.198 0.65-.03 .00-.00 .67 .58 .21 416.000 1955 272 569 1955 36.9 9.206 3.64 1.05 0.302 -0.004 1.2 0.274 0.262 0.75-.05 .01-.01 .75 .59 .22 448.000 1945 307 578 1933 40.8 8.410 3.32 0.79 0.347 0.005 1.2 0.319 0.362 0.82-.18 .02-.00 .97 .77 .23 480.000 967 189 387 910 56.8 6.020 2.43 0.41 0.465 -0.021 1.3 0.410 0.589 0.93-1.1-.02-.00 2.0 .85 .24 512.000 Det Y # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 569 4 496 556 26.0 21.013 7.66 0.81 0.129 0.029 1.1 0.122 0.507 0.00-.22 .36 .02 .80 .93 .19 32.000 1069 14 856 1051 25.5 24.193 7.62 1.07 0.128 0.043 1.0 0.118 1.097 2.03-.16 .11 .01 .87 .61 .20 64.000 1150 11 904 1143 23.3 30.563 8.39 1.25 0.113 0.036 1.0 0.106 0.702 1.53-.14 .07 .00 .79 .51 .21 96.000 1281 25 949 1281 22.8 40.868 10.10 1.34 0.094 0.036 1.0 0.089 0.374 0.84-.12 .06 .01 .78 .52 .22 128.000 1309 34 969 1309 22.5 49.881 10.91 1.50 0.083 0.028 1.0 0.080 0.097 0.77-.09 .01 .00 .71 .47 .20 160.000 1379 53 1031 1379 26.5 63.038 13.25 1.62 0.067 0.005 0.9 0.066 0.178 0.80-.03 .01 .00 .60 .43 .18 192.000 1434 89 1077 1434 23.0 72.327 14.53 1.70 0.065 0.000 0.9 0.061 0.117 0.84-.03 .02-.01 .60 .40 .17 224.000 1425 129 1075 1425 22.2 65.471 13.20 1.75 0.071 -0.012 0.9 0.066 0.079 0.61-.05-.00-.00 .60 .40 .16 256.000 1458 202 971 1458 21.9 76.781 14.95 1.79 0.074 -0.031 1.0 0.070 0.072 0.61-.04 .04-.01 .59 .41 .16 288.000 1422 240 1065 1422 22.4 77.097 15.10 1.79 0.074 -0.019 1.0 0.069 0.048 0.53-.01 .03-.00 .57 .41 .16 320.000 1387 279 1012 1387 21.6 63.570 12.79 1.72 0.070 -0.014 0.9 0.068 0.053 0.59-.02 .00-.02 .60 .43 .18 352.000 1330 300 967 1329 22.6 47.143 10.65 1.61 0.082 -0.009 0.9 0.077 0.048 0.49-.03 .01-.02 .63 .43 .20 384.000 1252 278 954 1249 19.6 45.334 10.69 1.50 0.082 0.005 0.9 0.077 0.082 0.62-.04 .01-.02 .65 .47 .21 416.000 1189 254 940 1185 23.5 34.411 9.14 1.35 0.091 0.013 0.9 0.085 0.085 0.56-.12-.00-.02 .85 .56 .22 448.000 1060 215 869 1045 25.6 28.150 8.19 1.22 0.108 0.014 1.0 0.100 0.102 0.57-.21-.12-.02 1.1 .69 .22 480.000 569 115 501 561 22.1 28.631 9.22 0.97 0.116 0.016 1.2 0.106 0.096 0.64-.24-.29-.02 .90 .94 .22 512.000 Det R # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 301 29 168 301 21.3 36.037 6.91 2.06 0.098 -0.013 0.6 0.092 0.073 0.72 .00 .02-.01 .45 .35 .13 30.000 886 78 419 886 14.9 50.778 8.50 2.05 0.089 -0.028 0.7 0.084 0.046 0.47 .00 .01-.02 .41 .34 .13 60.000 1444 139 641 1444 16.1 61.271 9.85 2.02 0.076 -0.023 0.7 0.073 0.059 0.66-.01 .03-.01 .42 .36 .14 90.000 1969 215 839 1969 16.3 63.424 10.76 1.94 0.073 -0.015 0.7 0.071 0.050 0.46 .01 .02-.02 .44 .37 .15 120.000 2373 249 1003 2373 15.7 57.975 10.93 1.81 0.074 -0.008 0.8 0.071 0.053 0.49-.01 .01-.01 .48 .40 .17 150.000 2750 306 1222 2750 18.6 58.430 12.85 1.67 0.074 -0.004 0.9 0.070 0.064 0.53 .00 .02-.01 .54 .44 .18 180.000 2970 339 1387 2970 22.4 65.419 16.56 1.48 0.069 0.009 1.0 0.066 0.073 0.59-.00 .03-.00 .58 .46 .20 210.000 3159 380 1536 3159 26.2 44.815 13.63 1.21 0.082 0.017 1.1 0.077 0.059 0.59-.06 .01-.01 .68 .51 .21 240.000 2095 278 1169 2094 33.0 31.051 11.33 0.93 0.115 0.031 1.2 0.108 0.079 0.75-.17 .04-.00 .86 .57 .24 270.000 1336 229 725 1268 46.7 16.797 6.61 0.52 0.184 0.037 1.2 0.151 0.278 0.79-.77-.02-.00 1.7 1.1 .27 300.000 Quadrnt # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 2762 425 626 2762 8.4 136.228 22.67 2.02 0.052 -0.013 1.0 0.050 0.028 0.45 .01 .03-.03 .33 .30 .18 2.000 6903 1458 1873 6872 27.9 20.175 5.34 1.37 0.154 -0.005 1.0 0.144 0.143 0.64-.11-.03-.01 .83 .59 .20 3.000 2772 41 663 2772 9.4 122.070 21.09 1.99 0.048 0.016 0.9 0.047 0.039 0.59 .01 .01 .02 .32 .32 .18 4.000 6846 318 1898 6808 29.6 19.997 5.46 1.22 0.161 0.002 1.0 0.149 0.189 0.81-.13 .07-.00 .81 .57 .20 5.000 Region# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 2812 264 724 2812 16.2 54.583 9.10 2.03 0.082 -0.024 0.7 0.078 0.057 0.61-.00 .02-.01 .42 .35 .13 2.000 2877 410 1139 2877 34.4 11.676 3.86 1.14 0.262 -0.028 1.1 0.242 0.259 0.74-.10 .03-.00 .79 .48 .20 3.000 3656 903 1516 3625 32.0 14.747 4.49 1.22 0.193 0.001 1.0 0.175 0.178 0.66-.16-.08-.01 .99 .69 .22 4.000 1791 300 715 1791 13.0 39.794 8.36 1.66 0.085 -0.003 0.8 0.082 0.060 0.53-.01 .01-.03 .40 .41 .16 5.000 1095 190 318 1095 3.6 144.900 23.96 1.93 0.047 -0.002 1.0 0.046 0.026 0.41 .01 .02-.04 .27 .23 .22 6.000 602 53 115 602 8.8 431.344 49.28 2.98 0.039 -0.006 1.5 0.037 0.023 0.47 .05 .01 .00 .26 .28 .17 7.000 1123 5 350 1123 6.3 125.210 22.26 1.84 0.051 0.032 1.1 0.050 0.041 0.48 .02 .02 .03 .26 .30 .21 8.000 1739 9 743 1739 11.3 39.053 8.49 1.55 0.088 0.028 0.8 0.085 0.026 0.33-.02 .04 .01 .40 .42 .16 9.000 3588 108 1462 3550 34.4 14.404 4.50 1.06 0.207 0.007 1.0 0.192 0.247 0.91-.19 .11-.00 .95 .67 .22 10.000 Frame# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 957 115 726 954 26.3 53.583 11.07 1.66 0.086 0.014 0.9 0.078 0.086 0.60-.11 .00 .00 .76 .54 .18 15.850 949 129 720 947 20.7 56.239 11.95 1.57 0.081 0.014 0.9 0.073 0.080 0.56-.10 .03 .00 .66 .48 .17 30.700 960 151 735 957 20.0 51.573 11.25 1.56 0.087 0.022 0.9 0.081 0.053 0.49-.08-.02 .00 .68 .50 .16 45.550 961 165 723 956 22.8 51.712 11.28 1.54 0.078 0.011 0.9 0.074 0.079 0.56-.07 .02-.02 .69 .53 .17 60.400 966 185 706 964 24.9 47.277 10.51 1.51 0.088 0.000 0.9 0.081 0.065 0.56-.08 .01-.01 .68 .51 .19 75.250 960 186 680 957 24.4 54.410 12.56 1.53 0.072 -0.005 0.9 0.069 0.074 0.58-.08 .04-.01 .74 .52 .20 90.100 989 193 693 988 23.4 66.102 14.38 1.56 0.066 -0.008 0.9 0.062 0.068 0.58-.08 .05-.02 .70 .54 .20 104.950 970 112 751 963 27.4 42.641 10.25 1.52 0.090 -0.007 1.0 0.085 0.093 0.73-.09 .04-.02 .86 .57 .20 119.800 978 73 747 971 22.7 45.110 10.79 1.50 0.082 -0.011 0.9 0.078 0.082 0.84-.06 .04-.00 .75 .52 .20 134.650 941 29 761 930 21.7 48.898 11.53 1.48 0.088 -0.017 1.0 0.084 0.024 0.52-.03 .02-.00 .71 .51 .19 149.500 968 19 774 967 22.3 45.903 11.02 1.46 0.086 -0.017 1.0 0.082 0.016 0.39-.04 .02-.02 .66 .50 .19 164.350 979 11 790 978 22.4 52.497 12.11 1.47 0.083 -0.012 1.0 0.081 0.025 0.42-.05 .01-.01 .72 .51 .18 179.200 963 16 753 962 22.0 59.228 13.58 1.48 0.071 -0.006 1.0 0.067 0.066 1.46-.11-.00-.01 .77 .53 .19 194.050 969 35 721 966 20.4 54.811 12.84 1.45 0.077 -0.005 1.0 0.074 0.030 0.57-.08-.02-.01 .69 .54 .20 208.900 976 63 707 973 21.7 50.998 12.16 1.44 0.085 0.002 1.0 0.081 0.077 0.62-.11-.00-.00 .74 .52 .20 223.750 965 92 710 959 20.7 51.745 12.29 1.46 0.079 -0.002 1.0 0.075 0.091 0.72-.13 .00-.00 .71 .52 .20 238.600 963 121 711 960 24.8 52.599 12.25 1.45 0.076 -0.003 1.0 0.073 0.080 0.54-.11 .04 .01 .71 .47 .20 253.450 947 155 705 946 23.7 48.330 11.75 1.45 0.078 0.009 1.0 0.072 0.100 0.58-.09 .02-.00 .68 .51 .21 268.300 987 201 723 983 23.8 49.776 11.96 1.46 0.081 0.014 1.0 0.077 0.107 0.60-.07 .07-.01 .74 .51 .20 283.150 935 191 712 933 24.9 43.793 10.69 1.43 0.084 0.004 1.0 0.082 0.128 0.59-.06 .02-.00 .67 .50 .19 298.000 Rot.Ang # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 10.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 20.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 30.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 40.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 50.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 60.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 70.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 80.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 90.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 100.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 110.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 120.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 130.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 140.000 174 40 131 173 23.6 33.588 9.02 1.45 0.110 -0.027 1.1 0.104 0.071 0.57-.11-.06 .01 .82 .53 .18 150.000 902 277 692 899 22.8 43.692 10.52 1.44 0.084 -0.012 1.0 0.080 0.112 0.63-.08 .00-.00 .74 .55 .18 160.000 1072 384 809 1070 22.8 51.183 12.37 1.45 0.082 -0.005 1.0 0.078 0.070 0.53-.06-.02 .00 .69 .49 .17 170.000 1082 358 836 1079 21.2 50.314 12.02 1.45 0.078 -0.010 1.0 0.074 0.090 0.55-.05-.04-.01 .70 .52 .18 180.000 1093 328 863 1087 23.7 55.515 12.92 1.44 0.077 -0.014 1.0 0.074 0.070 0.57-.07-.02-.00 .66 .51 .19 190.000 1080 295 871 1072 21.5 43.916 11.02 1.44 0.078 -0.009 0.9 0.077 0.077 0.61-.05-.04-.01 .66 .49 .19 200.000 1081 269 870 1080 22.8 54.453 12.96 1.46 0.074 -0.014 1.0 0.072 0.067 0.60-.08-.06-.01 .69 .52 .19 210.000 1086 133 908 1080 20.8 50.192 11.81 1.45 0.078 -0.011 0.9 0.077 0.090 0.84-.03-.04-.01 .70 .47 .18 220.000 1086 81 853 1083 21.2 54.624 12.85 1.46 0.075 -0.015 1.0 0.072 0.050 0.63-.01-.02-.01 .69 .49 .19 230.000 1083 27 853 1078 23.3 46.871 11.30 1.47 0.096 -0.036 1.0 0.092 0.025 0.51-.06 .01-.02 .73 .53 .19 240.000 1088 13 866 1081 21.5 47.159 11.11 1.47 0.084 0.003 1.0 0.079 0.018 0.43-.04 .02-.01 .70 .49 .20 250.000 1072 5 849 1066 24.2 49.178 11.44 1.51 0.077 0.000 0.9 0.073 0.041 1.16-.14 .07 .00 .83 .58 .20 260.000 1103 9 839 1099 25.2 52.086 12.05 1.54 0.088 0.000 1.0 0.081 0.018 0.46-.11 .08-.02 .77 .57 .21 270.000 1103 2 849 1100 22.4 65.581 13.94 1.55 0.068 0.002 1.0 0.062 2.930 1.42-.14 .08-.01 .81 .56 .22 280.000 1080 4 843 1079 24.3 54.526 12.28 1.53 0.080 0.005 1.0 0.077 1.036 47.38-.12 .07-.01 .73 .55 .21 290.000 1072 3 857 1070 25.0 45.113 9.93 1.54 0.086 0.021 0.9 0.079 0.098 0.82-.15 .09-.01 .74 .50 .20 300.000 1104 12 903 1099 22.9 48.752 10.72 1.56 0.083 0.030 0.9 0.077 0.128 1.24-.09 .05-.01 .68 .51 .20 310.000 1061 2 832 1059 23.6 56.010 12.19 1.57 0.079 0.034 0.9 0.072 3.537 5.25-.11 .06 .00 .68 .49 .19 320.000 802 0 675 801 26.6 53.691 10.66 1.68 0.084 0.032 0.9 0.000 0.000 0.00-.10 .06 .00 .65 .48 .18 330.000 59 0 59 59 27.1 123.879 18.89 2.07 0.076 0.036 1.1 0.000 0.000 0.00-.06 .07-.04 .96 .51 .17 340.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 350.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 360.000 Hours # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.020 960 1 695 959 28.8 58.514 9.68 1.95 0.104 0.063 0.9 0.094 3.538 0.00-.09 .03-.00 .56 .45 .17 1.018 977 0 732 976 29.0 58.521 12.02 1.75 0.076 0.001 0.9 0.000 0.000 0.00-.08 .24 .04 .66 .57 .22 2.017 964 8 742 956 23.2 46.729 10.67 1.56 0.084 -0.027 0.9 0.081 0.209 0.44 .04 .09 .05 .60 .49 .22 3.016 968 36 779 963 19.6 49.675 12.02 1.48 0.074 -0.021 1.0 0.072 0.518 1.31-.06-.05 .01 .57 .45 .20 4.014 928 122 492 923 24.9 46.757 11.34 1.46 0.074 -0.004 0.9 0.070 0.212 0.63-.04-.09 .01 .61 .46 .20 5.012 966 237 686 964 21.0 45.403 10.62 1.47 0.081 0.017 0.9 0.077 0.165 0.68-.08-.01 .01 .74 .52 .17 6.011 958 297 663 955 22.8 56.162 12.75 1.46 0.070 0.019 0.9 0.067 0.140 0.69-.08-.04-.00 .73 .54 .17 7.010 988 47 554 986 24.3 53.968 12.25 1.47 0.081 0.006 1.0 0.078 0.043 0.67-.11 .03-.01 .75 .52 .17 8.008 977 1 772 974 22.3 62.617 13.84 1.49 0.075 0.009 1.0 0.067 0.226 0.76-.12 .10-.02 .76 .59 .18 9.007 941 8 585 939 25.5 46.520 10.88 1.49 0.077 0.033 0.9 0.072 1.048 0.00-.06 .15-.05 .70 .52 .20 10.005 953 0 822 948 20.0 54.675 12.98 1.49 0.066 -0.004 0.9 0.000 0.000 0.00-.11 .03-.02 .69 .49 .18 11.003 985 2 854 980 24.7 48.360 11.29 1.49 0.092 -0.031 1.0 0.087 0.421 1.61-.13-.02-.10 .89 .57 .22 12.002 974 10 776 968 21.3 43.685 10.78 1.47 0.100 -0.033 1.0 0.093 0.232 0.72-.01-.01-.08 .76 .53 .21 13.000 966 157 837 962 21.4 46.747 11.53 1.44 0.093 -0.038 1.0 0.092 0.057 0.58-.00-.06-.05 .70 .51 .21 13.999 956 529 782 954 24.5 51.541 12.54 1.43 0.091 -0.033 1.1 0.087 0.090 0.56-.08 .03-.03 .70 .50 .18 14.997 920 316 676 916 20.8 53.219 12.92 1.43 0.080 -0.020 1.0 0.075 0.049 0.48-.08-.02 .00 .77 .57 .17 15.996 978 376 525 973 22.8 49.249 12.02 1.42 0.071 -0.014 0.9 0.069 0.052 0.54-.07-.03-.00 .71 .49 .17 16.994 988 74 737 984 20.3 46.725 11.52 1.42 0.076 -0.008 0.9 0.076 0.027 0.56-.09-.03 .00 .70 .50 .17 17.993 971 13 755 970 21.2 58.822 13.49 1.41 0.071 0.030 1.0 0.068 0.033 0.88-.24-.01 .04 .83 .55 .19 18.991 965 8 645 964 22.7 49.611 12.02 1.42 0.076 0.031 0.9 0.072 0.083 1.09-.17 .05 .06 .78 .50 .23 19.990 Batch# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 4797 167 1857 4777 25.1 52.089 11.05 1.64 0.083 0.005 0.9 0.078 0.327 0.79-.05 .05 .02 .60 .49 .20 2.000 4830 590 1783 4818 23.2 52.989 12.11 1.47 0.077 0.016 0.9 0.072 0.120 0.68-.09 .05-.01 .74 .54 .18 3.000 4834 698 2209 4812 22.4 48.970 11.82 1.46 0.088 -0.027 1.0 0.083 0.080 0.56-.07-.01-.06 .75 .52 .20 4.000 4822 787 1774 4807 21.6 51.489 12.40 1.42 0.075 0.005 0.9 0.072 0.044 0.54-.13-.01 .02 .76 .52 .19 5.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 6.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 7.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 8.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 9.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 10.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 11.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 12.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 13.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 14.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 15.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 16.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 17.000 Correl # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 1792 289 707 1775 97.8 -0.328 -0.17 1.12 1.327 -4.937 1.1 1.221 1.278 0.74-.31-.03 .00 1.2 .81 .25 0.100 728 101 496 720 88.6 1.634 0.83 1.14 0.892 -0.364 1.0 0.816 0.958 0.81-.19 .02 .00 1.1 .71 .24 0.200 840 124 575 834 77.4 2.543 1.27 1.14 0.757 -0.238 1.1 0.667 0.704 0.76-.20-.03-.01 1.1 .69 .24 0.300 899 146 618 893 56.1 3.948 1.94 1.17 0.517 -0.071 1.0 0.490 0.483 0.76-.18 .01-.01 .98 .69 .22 0.400 1120 149 716 1115 35.2 5.691 2.64 1.14 0.409 -0.010 1.1 0.383 0.367 0.72-.15 .02-.00 .92 .61 .22 0.500 1095 149 710 1088 20.1 8.051 3.34 1.20 0.329 0.007 1.1 0.301 0.243 0.69-.13 .03-.01 .81 .62 .21 0.600 1733 207 938 1727 10.3 13.675 4.68 1.29 0.219 -0.004 1.1 0.204 0.200 0.68-.08 .03-.01 .76 .57 .19 0.700 2184 251 1150 2174 3.3 32.704 7.84 1.51 0.122 -0.028 0.9 0.114 0.120 0.68-.04 .02-.00 .60 .48 .18 0.800 4349 454 1266 4345 0.6 67.382 11.51 1.74 0.076 -0.004 0.8 0.073 0.058 0.53-.00 .03-.02 .41 .37 .16 0.900 4543 372 899 4543 0.0 127.925 18.92 1.84 0.051 0.013 0.9 0.049 0.030 0.49 .01 .03-.01 .26 .26 .16 1.000 Missing # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 19283 2242 2351 19214 23.1 51.382 11.82 1.50 0.080 0.000 1.0 0.076 0.069 0.59-.08 .02-.01 .72 .52 .19 0.020 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.040 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.060 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.080 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.100 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.120 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.140 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.160 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.180 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.200 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.220 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.240 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.260 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.280 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.300 PeakCts # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 429 90 252 375 75.3 2.334 0.99 0.17 0.655 -0.311 1.1 0.543 0.923 1.07-2.0 .10-.00 2.8 1.5 .24 154.207 806 127 452 794 48.6 6.071 2.79 0.52 0.405 -0.069 1.3 0.396 0.555 0.94-.61 .01-.00 1.2 .78 .21 308.414 3989 536 1480 3987 35.4 10.903 3.96 1.09 0.245 -0.019 1.1 0.230 0.240 0.74-.05 .01 .00 .75 .56 .20 616.828 10838 1253 1828 10838 20.5 24.626 5.90 1.61 0.130 -0.008 0.8 0.122 0.097 0.57-.01 .02-.01 .53 .46 .18 1233.656 2249 148 659 2248 4.0 102.517 15.21 1.92 0.058 0.006 0.9 0.056 0.034 0.47 .01 .02-.01 .27 .27 .16 2467.312 603 54 164 603 0.5 263.779 29.70 2.17 0.045 0.003 1.3 0.045 0.027 0.43 .03 .01-.00 .18 .16 .24 4934.625 227 17 79 227 0.0 450.143 46.10 2.45 0.041 0.009 1.9 0.041 0.015 0.34 .05 .01-.00 .19 .13 .33 9869.250 74 9 30 74 0.0 831.782 70.12 2.78 0.042 0.000 2.9 0.041 0.026 0.50 .05 .02 .01 .12 .11 .28 19738.500 53 5 11 53 0.0 1656.573 96.89 3.43 0.032 0.009 3.2 0.028 0.019 0.40 .04 .04-.01 .11 .13 .17 39477.000 15 3 6 15 0.0 2225.060 119.28 3.18 0.025 0.007 3.1 0.027 0.022 0.73 .05-.01-.09 .10 .09 .32 78954.000 BgndCts # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 1039 185 442 973 59.1 5.750 2.47 0.28 0.389 -0.066 1.2 0.353 0.599 1.00-1.3 .03-.00 2.0 1.2 .25 0.474 2256 293 787 2254 35.9 11.418 4.95 0.74 0.249 0.014 1.3 0.230 0.253 0.78-.05 .01 .00 .77 .56 .23 0.949 4915 690 1493 4914 27.9 17.027 5.98 1.21 0.170 0.008 1.1 0.158 0.155 0.65-.02-.00-.01 .67 .53 .21 1.423 6295 666 1425 6295 16.2 40.130 8.32 1.65 0.092 0.009 0.8 0.088 0.060 0.51-.00 .03-.01 .48 .42 .17 1.897 3744 332 828 3744 14.7 74.145 12.00 2.07 0.068 -0.005 0.7 0.065 0.040 0.49-.00 .03-.01 .39 .34 .15 2.372 670 47 202 670 9.1 194.660 25.09 2.54 0.048 -0.008 1.0 0.048 0.022 0.43 .01 .04-.01 .30 .29 .16 2.846 194 17 67 194 5.7 415.412 49.42 3.07 0.031 -0.002 1.3 0.031 0.025 0.60 .08 .01-.00 .30 .26 .19 3.320 160 12 37 160 6.2 744.452 70.20 3.52 0.039 -0.005 2.2 0.035 0.023 0.45 .04 .01-.01 .21 .21 .15 3.794 8 0 7 8 0.0 1511.594 88.59 3.96 0.040 0.008 3.3 0.000 0.000 0.00-.03 .19 .15 .07 .24 .20 4.269 2 0 2 2 0.0 1475.250 91.63 4.65 0.047 0.047 4.3 0.000 0.000 0.00 .02 .08-.04 .04 .13 .05 4.743 ErrX # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 754 130 506 710 65.3 3.800 1.63 0.61 0.463 -0.144 1.0 0.407 0.584 0.94-2.3-.03-.01 2.5 1.3 .29 -1.380 120 19 117 118 52.5 5.345 2.31 1.01 0.433 -0.072 1.1 0.411 0.391 0.70-1.3 .04-.01 1.3 .77 .23 -1.260 210 32 198 209 45.2 6.882 2.70 1.14 0.395 -0.056 1.2 0.357 0.528 0.72-1.2 .01-.00 1.2 .58 .23 -1.140 260 42 237 258 50.8 7.831 3.19 1.09 0.338 -0.044 1.2 0.309 0.400 0.80-1.1 .02-.00 1.1 .69 .25 -1.020 299 39 265 298 48.2 6.683 2.76 1.16 0.339 -0.043 1.0 0.315 0.303 0.71-.96 .04-.00 .96 .68 .24 -0.900 370 38 338 369 39.7 8.855 3.31 1.26 0.287 -0.053 1.1 0.250 0.467 0.75-.84 .05-.01 .84 .58 .22 -0.780 509 61 453 509 36.3 9.891 3.53 1.29 0.261 -0.038 1.0 0.235 0.254 0.72-.72 .08 .00 .72 .58 .21 -0.660 656 77 543 653 31.2 12.473 4.13 1.31 0.222 0.003 1.0 0.205 0.277 0.79-.59 .04-.00 .59 .52 .20 -0.540 836 100 666 834 25.6 14.918 4.53 1.35 0.195 -0.002 1.0 0.183 0.254 0.61-.47 .02 .00 .48 .53 .19 -0.420 1059 95 830 1059 21.8 22.418 5.95 1.46 0.140 0.003 0.9 0.131 0.193 0.67-.36 .02 .00 .36 .48 .18 -0.300 1494 124 1026 1493 16.9 37.307 8.30 1.55 0.095 0.000 0.9 0.091 0.137 0.66-.24 .03-.01 .24 .42 .18 -0.180 2041 181 1161 2041 11.2 77.522 13.85 1.68 0.064 0.009 0.9 0.061 0.077 0.63-.12 .01 .00 .12 .37 .16 -0.060 2778 307 1243 2777 10.2 121.996 19.57 1.81 0.052 0.008 0.9 0.050 0.034 0.52 .00 .02-.00 .04 .34 .16 0.060 2108 266 1189 2107 11.1 97.244 17.17 1.74 0.062 -0.003 1.0 0.059 0.039 0.49 .12 .01-.02 .12 .36 .16 0.180 1505 199 1031 1504 16.0 61.538 12.77 1.61 0.082 -0.021 1.0 0.078 0.056 0.50 .24 .00-.03 .24 .40 .18 0.300 1127 136 857 1127 19.4 32.792 7.80 1.54 0.107 -0.012 0.8 0.100 0.093 0.62 .36 .05-.03 .36 .48 .18 0.420 809 88 683 809 22.1 21.044 5.88 1.44 0.141 -0.004 0.9 0.132 0.132 0.65 .47 .04-.02 .48 .48 .19 0.540 600 75 522 600 27.0 15.955 4.85 1.41 0.187 -0.017 1.0 0.178 0.185 0.62 .59 .00-.01 .59 .54 .21 0.660 481 70 421 480 32.8 12.342 4.30 1.33 0.203 -0.009 1.0 0.190 0.175 0.66 .72 .07-.01 .72 .51 .22 0.780 315 42 279 315 37.8 8.755 3.34 1.26 0.281 0.041 1.0 0.263 0.229 0.72 .84-.02 .00 .84 .56 .23 0.900 228 28 209 226 39.9 8.399 3.26 1.29 0.287 -0.015 1.0 0.257 0.212 0.59 .96-.01-.01 .96 .58 .23 1.020 191 24 176 191 48.7 6.897 2.89 1.27 0.325 0.000 1.0 0.289 0.202 0.63 1.1 .07 .02 1.1 .58 .23 1.140 140 22 136 140 44.3 6.421 2.71 1.21 0.356 -0.064 1.1 0.321 0.304 0.69 1.2-.03-.01 1.2 .61 .24 1.260 131 16 124 131 45.0 6.262 2.75 1.17 0.435 0.000 1.2 0.394 0.537 0.88 1.3-.05 .02 1.3 .62 .26 1.380 262 31 240 256 58.8 5.517 2.46 1.16 0.509 -0.016 1.1 0.446 0.490 0.83 1.7-.06 .00 1.7 .72 .28 1.500 ErrY # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 203 44 196 189 69.5 2.825 1.28 0.78 0.573 -0.462 1.1 0.461 0.723 1.25-1.4-1.9-.01 2.5 2.1 .30 -1.380 57 13 54 57 56.1 4.673 2.13 1.04 0.426 -0.045 1.1 0.380 0.445 0.51-.48-1.3-.06 1.4 1.3 .30 -1.260 78 16 77 76 55.1 4.992 2.34 1.08 0.403 -0.081 1.1 0.375 0.306 0.73-.46-1.2 .03 1.4 1.2 .26 -1.140 121 23 117 119 53.7 5.696 2.55 1.09 0.406 0.035 1.1 0.360 0.292 0.56-.36-1.1-.02 1.3 1.1 .25 -1.020 232 39 210 230 47.0 6.607 2.93 1.16 0.308 0.003 1.0 0.279 0.253 0.76-.08-.96-.02 .88 .96 .25 -0.900 293 29 272 290 42.3 6.924 2.81 1.26 0.334 -0.105 1.1 0.298 0.271 0.60-.08-.84-.03 .81 .84 .23 -0.780 464 67 406 463 36.4 9.827 3.76 1.27 0.288 0.002 1.1 0.265 0.221 0.78-.07-.72-.00 .80 .72 .22 -0.660 560 78 482 558 37.0 9.350 3.47 1.27 0.246 0.007 0.9 0.231 0.262 0.64-.11-.59-.01 .84 .60 .21 -0.540 783 102 662 781 32.2 11.949 3.97 1.32 0.231 -0.023 1.0 0.215 0.260 0.72-.12-.48-.01 .77 .48 .20 -0.420 1050 142 820 1046 24.9 17.966 5.16 1.40 0.169 -0.021 1.0 0.158 0.157 0.66-.03-.36-.01 .67 .36 .18 -0.300 1486 179 1048 1483 19.6 35.646 8.46 1.50 0.102 -0.011 0.9 0.097 0.099 0.56-.02-.23-.01 .56 .24 .19 -0.180 2427 257 1328 2424 13.5 84.627 15.61 1.67 0.064 0.002 1.0 0.062 0.069 0.60-.01-.12-.01 .51 .12 .17 -0.060 3193 384 1442 3193 11.8 106.861 17.94 1.74 0.057 -0.002 1.0 0.055 0.033 0.47-.02-.00-.01 .46 .04 .17 0.060 2245 247 1272 2244 15.8 83.627 15.83 1.67 0.062 0.005 0.9 0.058 0.047 0.58-.02 .12-.01 .49 .12 .17 0.180 1628 150 1095 1627 18.2 43.962 9.77 1.56 0.090 0.006 0.9 0.085 0.109 0.63-.03 .24-.00 .57 .24 .19 0.300 1254 150 950 1253 21.9 31.515 7.76 1.48 0.111 0.019 0.9 0.104 0.162 0.60-.05 .36-.01 .57 .36 .20 0.420 899 84 707 898 24.5 24.682 6.56 1.42 0.130 -0.003 0.9 0.119 0.198 0.67-.06 .48-.00 .65 .48 .19 0.540 648 65 560 647 24.8 16.920 5.01 1.33 0.168 0.024 0.9 0.155 0.271 0.89-.13 .60 .00 .79 .60 .20 0.660 531 52 467 530 35.4 12.887 4.20 1.29 0.206 -0.004 1.0 0.189 0.213 0.57-.12 .72 .00 .85 .72 .22 0.780 373 39 333 370 39.9 9.810 3.59 1.22 0.249 0.027 1.0 0.233 0.275 0.72-.13 .84 .01 .84 .84 .22 0.900 220 19 208 217 41.8 9.840 3.62 1.17 0.258 -0.034 1.0 0.255 0.517 0.81-.32 .96-.02 1.1 .96 .25 1.020 172 21 164 169 56.4 6.607 2.72 1.12 0.379 -0.021 1.1 0.318 0.541 0.73-.30 1.1 .01 1.2 1.1 .25 1.140 113 14 111 113 50.4 6.874 2.83 1.04 0.281 -0.038 0.9 0.266 0.573 1.25-.40 1.2 .02 1.3 1.2 .25 1.260 67 10 67 65 59.7 7.110 2.79 1.07 0.275 -0.078 1.0 0.243 0.388 0.58-.54 1.3 .02 1.5 1.3 .25 1.380 186 18 175 172 62.9 3.785 1.70 0.74 0.467 -0.177 1.1 0.438 0.651 0.72-1.0 1.9 .01 1.9 2.0 .28 1.500 ErrZ # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.380 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.260 2 0 2 2 0.0 163.728 43.94 0.37 0.013 0.006 0.6 0.000 0.000 0.00 .77-.34-1.2 .77 .34 1.2 -1.140 1 0 1 1 0.0 111.627 37.93 1.59 0.073 -0.073 2.8 0.000 0.000 0.00 .55 .04-1.1 .55 .04 1.1 -1.020 3 0 3 3 0.0 153.853 42.10 1.28 0.039 -0.001 1.6 0.000 0.000 0.00 .54 .07-.98 .56 .25 .98 -0.900 2 1 2 2 0.0 157.218 38.09 1.22 0.037 0.037 1.5 0.042 0.061 1.09 .18-.05-.83 .38 .25 .83 -0.780 6 2 6 6 0.0 420.190 64.40 1.70 0.036 0.036 2.5 0.052 0.079 1.11 .11 .10-.71 .33 .19 .71 -0.660 26 5 25 23 57.7 56.093 19.53 1.12 0.044 0.006 1.0 0.036 0.854 1.25-.93-.16-.57 2.0 1.2 .57 -0.540 209 27 194 207 60.8 24.509 9.78 1.14 0.107 -0.017 1.1 0.094 0.129 0.63-.32-.05-.47 1.4 .85 .47 -0.420 980 118 773 971 41.0 24.868 8.44 1.26 0.142 -0.028 1.1 0.133 0.262 0.75-.22-.03-.35 1.0 .71 .35 -0.300 2193 240 1392 2185 25.1 41.193 10.62 1.42 0.092 -0.009 1.0 0.086 0.064 0.59-.07 .01-.23 .76 .54 .24 -0.180 3721 499 1726 3715 17.2 63.708 13.08 1.59 0.072 -0.004 0.9 0.068 0.058 0.59-.04 .02-.12 .58 .44 .12 -0.060 5931 706 1953 5920 16.3 59.238 11.89 1.60 0.074 0.004 0.9 0.071 0.060 0.57-.04 .02-.00 .54 .42 .04 0.060 3148 324 1651 3140 19.9 56.461 12.48 1.56 0.077 -0.005 1.0 0.074 0.064 0.53-.08 .03 .11 .62 .46 .12 0.180 1855 189 1251 1845 29.4 33.078 9.53 1.35 0.098 0.017 1.0 0.093 0.246 0.72-.11 .04 .23 .83 .65 .24 0.300 921 100 726 911 46.8 22.533 8.19 1.22 0.145 0.022 1.1 0.132 0.357 0.73-.20 .02 .35 1.1 .70 .35 0.420 222 27 211 220 55.4 31.588 11.90 1.19 0.093 0.014 1.1 0.092 0.616 0.74-.27-.01 .46 1.3 .85 .46 0.540 44 4 44 44 40.9 110.018 27.12 1.36 0.073 0.035 1.6 0.061 0.947 1.19-.67 .04 .58 1.8 .83 .58 0.660 9 0 9 9 0.0 436.726 70.20 1.66 0.024 0.022 2.5 0.000 0.000 0.00 .00-.03 .73 .14 .08 .73 0.780 2 0 2 2 0.0 105.257 35.52 1.71 0.056 0.056 1.5 0.000 0.000 0.00-.18-.08 .80 .19 .20 .80 0.900 2 0 2 2 0.0 205.784 43.73 1.58 0.086 0.086 3.6 0.000 0.000 0.00 .04-.11 .94 .04 .11 .94 1.020 3 0 3 3 0.0 245.525 47.64 1.58 0.063 0.063 3.1 0.000 0.000 0.00-.18 .30 1.0 .72 .32 1.0 1.140 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.260 2 0 2 2 0.0 149.406 44.11 0.99 0.085 0.085 3.6 0.000 0.000 0.00-.49 .15 1.4 .62 .21 1.4 1.380 1 0 1 1 0.0 98.626 35.27 0.61 0.008 0.008 0.3 0.000 0.000 0.00-1.4 .35 2.2 1.4 .35 2.2 1.500 #Equivs # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 69 0 69 0 68.1 6.562 2.56 0.17 0.000 0.000 0.0 0.000 0.000 0.00-2.3 .01-.02 3.4 1.8 .29 1.000 166 57 83 166 71.7 4.530 1.77 0.43 0.403 0.000 0.9 0.000 0.969 0.00-1.5-.16-.01 2.5 1.3 .25 2.000 234 67 78 234 64.1 18.015 5.99 0.72 0.133 0.000 1.0 0.105 0.174 1.15-1.2 .04-.01 2.0 1.2 .23 3.000 720 177 180 720 48.9 16.108 5.52 1.16 0.176 0.000 1.0 0.152 0.214 1.14-.23 .01 .01 .98 .65 .23 4.000 840 168 168 840 34.8 20.701 5.70 1.27 0.140 0.000 0.9 0.124 0.138 0.83-.09 .01-.01 .82 .58 .20 5.000 972 162 162 972 37.8 27.056 7.45 1.25 0.126 0.000 1.0 0.111 0.122 0.83-.24 .03-.02 .86 .57 .21 6.000 1407 201 201 1407 31.8 53.413 14.96 1.29 0.079 0.000 1.1 0.073 0.062 0.63-.14 .03-.01 .82 .56 .21 7.000 3312 414 414 3312 29.9 51.634 14.81 1.32 0.079 0.000 1.1 0.075 0.058 0.58-.05 .02-.01 .69 .54 .21 8.000 1818 202 202 1818 29.5 11.621 4.02 1.21 0.233 0.000 1.1 0.223 0.172 0.59-.04 .02 .00 .70 .57 .20 9.000 9745 794 794 9745 11.7 68.015 12.75 1.76 0.070 0.000 0.9 0.068 0.042 0.43 .00 .02-.01 .43 .38 .17 10.000 Angstms # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 9999.000 3218 281 282 3218 5.7 191.580 27.93 2.21 0.046 0.000 1.1 0.044 0.027 0.47 .02 .01-.01 .28 .26 .19 1.619 2838 257 257 2838 16.0 42.239 8.57 1.84 0.083 0.000 0.7 0.080 0.049 0.48-.00 .02-.01 .40 .36 .15 1.286 2355 237 237 2355 13.5 41.787 7.54 1.75 0.091 0.000 0.7 0.087 0.064 0.56-.01 .03-.02 .42 .39 .15 1.123 2227 249 249 2227 18.3 28.791 6.15 1.59 0.115 0.000 0.8 0.111 0.075 0.52-.01 .03-.01 .51 .45 .16 1.020 1959 237 237 1959 21.0 16.566 4.53 1.43 0.177 0.000 0.9 0.169 0.124 0.55 .01 .03-.01 .60 .52 .19 0.947 1874 244 244 1874 31.8 10.971 3.99 1.25 0.249 0.000 1.1 0.229 0.212 0.72 .01 .00 .00 .68 .56 .21 0.892 1723 236 236 1723 37.3 8.636 3.58 1.05 0.304 0.000 1.2 0.278 0.267 0.71-.07 .02-.00 .75 .56 .22 0.847 1596 233 233 1596 39.9 9.111 3.56 0.84 0.333 0.000 1.2 0.309 0.333 0.78-.02 .03-.01 .80 .60 .23 0.810 1174 199 225 1167 46.9 7.269 2.94 0.49 0.424 0.000 1.3 0.376 0.501 0.90-.66 .02 .00 1.2 .80 .23 0.779 319 69 151 257 77.1 2.940 1.17 0.19 0.534 0.000 0.9 0.567 0.917 1.19-2.2-.07-.01 3.0 1.5 .27 0.752 Intens # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 5635 789 1204 5586 77.4 1.852 0.95 1.20 0.760 -0.520 1.0 0.696 0.806 0.75-.24-.00 .00 1.1 .73 .24 5.758 3101 406 970 3092 2.4 8.505 3.41 1.30 0.268 0.019 1.0 0.252 0.249 0.68-.06 .01-.01 .72 .56 .20 11.516 3308 355 798 3301 0.3 16.437 4.55 1.44 0.182 0.011 0.9 0.171 0.145 0.65-.03 .03-.01 .56 .46 .17 23.031 2821 305 532 2818 0.0 32.623 5.94 1.62 0.126 0.014 0.8 0.118 0.103 0.58-.01 .03-.02 .37 .34 .14 46.062 1925 176 286 1925 0.0 65.693 9.53 1.77 0.081 0.011 0.8 0.077 0.054 0.55 .01 .04-.02 .26 .25 .14 92.125 1344 114 164 1343 0.0 126.295 15.24 1.97 0.056 0.003 0.9 0.054 0.034 0.49 .01 .03-.01 .20 .19 .19 184.250 721 60 83 721 0.0 250.401 24.40 2.15 0.046 0.002 1.2 0.045 0.028 0.47 .04 .02-.01 .15 .14 .19 368.500 304 26 33 304 0.0 488.960 40.51 2.52 0.042 0.003 1.7 0.041 0.021 0.39 .04 .02-.00 .15 .13 .20 737.000 74 5 7 74 0.0 1106.514 68.96 2.91 0.040 -0.006 2.8 0.040 0.018 0.40 .04 .02-.02 .11 .10 .16 1474.000 50 6 6 50 0.0 2006.596 104.59 3.49 0.030 0.008 3.2 0.027 0.021 0.54 .05 .03-.01 .11 .13 .21 2948.000 #Sigmas # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 3725 541 1027 3685100.0 0.644 0.32 1.19 1.170 -2.174 1.0 1.069 1.252 0.79-.30 .00 .00 1.2 .78 .24 1.628 1999 243 926 1990 36.0 5.187 2.17 1.38 0.379 -0.020 0.9 0.352 0.357 0.67-.11-.00-.01 .81 .60 .22 2.651 3844 455 1203 3834 0.0 11.343 3.56 1.46 0.225 0.006 0.9 0.211 0.191 0.63-.04 .02-.00 .66 .52 .18 4.317 4607 530 1169 4602 0.0 24.640 5.42 1.44 0.146 0.012 0.9 0.137 0.121 0.59-.02 .03-.01 .51 .43 .16 7.028 2274 231 640 2270 0.0 54.046 9.42 1.55 0.089 0.015 0.9 0.084 0.077 0.68-.02 .02-.01 .37 .33 .14 11.444 1464 128 294 1464 0.0 114.216 14.40 1.90 0.057 0.001 0.9 0.056 0.036 0.48 .02 .03-.01 .19 .20 .15 18.633 798 60 159 797 0.0 211.716 23.75 2.14 0.045 -0.002 1.1 0.044 0.026 0.42 .03 .01-.01 .17 .14 .18 30.338 380 30 98 380 0.0 395.843 38.36 2.28 0.043 0.004 1.7 0.043 0.025 0.46 .04 .01 .00 .19 .13 .31 49.397 115 16 40 115 0.0 654.605 61.15 2.59 0.047 0.006 2.8 0.045 0.018 0.36 .05 .01 .01 .13 .12 .27 80.430 77 8 10 77 0.0 1768.270 99.86 3.41 0.030 0.007 3.0 0.028 0.020 0.53 .05 .03-.03 .11 .11 .20 130.957 Rsym # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 2578 251 1102 2575 2.5 140.845 20.90 1.82 0.015 0.002 0.2 0.020 0.036 0.58-.01 .03-.02 .45 .36 .17 0.030 2347 213 1103 2344 4.3 109.117 17.41 1.78 0.044 0.013 0.6 0.043 0.030 0.45-.01 .03-.01 .41 .35 .17 0.060 1841 192 1037 1840 4.7 77.123 13.57 1.68 0.074 0.009 0.8 0.070 0.051 0.60-.03 .05-.01 .47 .37 .18 0.090 1488 145 943 1487 6.2 51.038 10.11 1.59 0.103 0.006 0.8 0.098 0.059 0.58-.04 .02-.02 .52 .40 .17 0.120 1143 129 842 1141 8.7 35.368 7.82 1.52 0.134 -0.001 0.8 0.125 0.066 0.54-.04 .02-.01 .64 .45 .17 0.150 948 120 712 946 9.2 27.848 6.54 1.51 0.164 0.013 0.9 0.153 0.103 0.60-.02-.00-.01 .59 .49 .17 0.180 848 84 657 845 10.1 22.838 5.85 1.49 0.194 -0.013 0.9 0.178 0.090 0.51-.01 .03-.01 .56 .48 .18 0.210 692 93 569 690 11.4 19.591 5.35 1.46 0.225 -0.002 1.0 0.204 0.111 0.50-.06 .01-.02 .71 .50 .18 0.240 608 67 515 607 15.5 16.767 4.76 1.40 0.256 -0.007 1.1 0.233 0.119 0.54-.08 .02-.00 .69 .52 .19 0.270 511 57 455 510 16.0 15.013 4.49 1.36 0.285 0.002 1.2 0.257 0.156 0.69-.04 .02-.02 .73 .55 .19 0.300 434 60 388 433 19.8 13.653 4.44 1.36 0.315 0.007 1.2 0.276 0.141 0.58-.13-.01 .01 .82 .61 .19 0.330 370 53 336 370 20.3 14.486 4.50 1.38 0.345 -0.012 1.4 0.314 0.179 0.58-.05-.00 .00 .67 .50 .20 0.360 346 42 305 346 23.4 10.895 3.80 1.29 0.375 0.063 1.3 0.337 0.297 0.80-.15-.01 .01 .88 .53 .20 0.390 311 40 273 307 24.8 13.388 4.86 1.31 0.406 -0.106 1.5 0.367 0.232 0.63-.07 .04-.01 .76 .57 .21 0.420 298 36 271 294 25.5 9.875 3.75 1.25 0.434 -0.006 1.4 0.382 0.240 0.62-.17 .02-.00 .80 .65 .21 0.450 246 27 225 245 35.4 7.613 3.03 1.27 0.465 0.109 1.4 0.425 0.283 0.64-.11 .02-.01 .91 .63 .23 0.480 245 42 225 239 35.1 7.135 2.93 1.20 0.495 -0.006 1.4 0.447 0.320 0.63-.31 .00-.01 1.0 .63 .22 0.510 214 40 197 214 35.5 6.764 2.87 1.20 0.524 0.046 1.5 0.436 0.340 0.66-.11-.07-.00 .76 .70 .21 0.540 187 27 179 185 39.6 6.251 2.58 1.23 0.555 -0.113 1.4 0.490 0.396 0.78-.14 .10-.01 .98 .70 .22 0.570 3628 524 1312 3596 78.7 2.114 1.02 1.15 1.111 -0.737 1.6 0.946 0.891 0.77-.24-.00-.00 1.1 .73 .24 0.600 dI/I # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -0.500 3053 432 1414 3028 78.8 1.965 0.94 1.19 1.093 -1.729 1.6 0.941 0.786 0.72-.22-.00 .00 1.1 .73 .23 -0.460 182 23 173 180 30.8 9.066 3.35 1.36 0.438 -0.446 1.3 0.407 0.187 0.48-.19 .02-.03 .83 .72 .21 -0.420 186 20 169 183 22.0 16.977 5.66 1.39 0.403 -0.398 1.5 0.373 0.214 0.54-.06 .02-.00 .81 .54 .20 -0.380 230 27 217 230 26.1 13.712 4.45 1.43 0.355 -0.359 1.3 0.328 0.191 0.58-.09-.01 .00 .77 .48 .19 -0.340 233 37 218 233 19.3 15.125 4.67 1.45 0.319 -0.322 1.2 0.286 0.116 0.49-.13-.01-.00 .76 .64 .18 -0.300 327 42 303 327 15.3 18.264 5.14 1.48 0.277 -0.279 1.2 0.257 0.093 0.50-.06-.01-.02 .68 .50 .18 -0.260 407 57 360 407 15.0 19.956 5.34 1.50 0.237 -0.238 1.0 0.215 0.155 0.61-.12 .03-.01 .74 .51 .18 -0.220 490 61 432 490 11.4 24.541 6.20 1.53 0.197 -0.197 0.9 0.180 0.078 0.47-.00 .05-.02 .59 .46 .18 -0.180 539 68 462 538 11.3 32.209 7.53 1.58 0.158 -0.158 0.9 0.150 0.069 0.52-.04-.00-.01 .65 .45 .18 -0.140 796 104 615 796 8.0 46.275 9.36 1.63 0.117 -0.117 0.8 0.113 0.059 0.55-.02 .02-.02 .50 .39 .16 -0.100 1017 135 721 1017 5.4 74.865 13.06 1.72 0.079 -0.079 0.7 0.074 0.042 0.51-.02 .02-.02 .45 .38 .16 -0.060 1401 159 868 1400 4.6 101.959 16.52 1.79 0.037 -0.037 0.4 0.038 0.030 0.46-.01 .02-.02 .43 .36 .16 -0.020 1745 168 906 1742 2.8 136.717 20.38 1.81 0.010 0.001 0.1 0.017 0.035 0.54-.02 .03-.01 .49 .37 .17 0.020 1779 137 910 1777 3.0 133.658 20.27 1.80 0.038 0.038 0.6 0.037 0.034 0.57 .00 .04-.01 .37 .33 .17 0.060 1346 110 890 1345 4.2 71.706 13.00 1.63 0.077 0.077 0.8 0.073 0.070 0.69-.03 .06 .00 .49 .38 .19 0.100 977 86 756 975 7.0 39.045 8.42 1.49 0.117 0.117 0.8 0.109 0.079 0.63-.06 .03-.01 .64 .43 .17 0.140 745 83 605 743 8.2 26.522 6.27 1.46 0.159 0.159 0.9 0.147 0.124 0.67-.04 .01 .00 .59 .52 .17 0.180 593 51 503 589 9.9 19.697 5.24 1.43 0.199 0.198 0.9 0.181 0.137 0.63-.03 .00-.01 .59 .50 .18 0.220 462 45 405 460 12.1 16.312 4.75 1.37 0.240 0.239 1.1 0.220 0.099 0.40-.06 .05-.00 .71 .55 .19 0.260 380 45 352 379 15.5 14.353 4.34 1.30 0.280 0.279 1.1 0.245 0.208 0.76 .01 .02-.02 .73 .56 .20 0.300 317 43 289 316 19.6 12.576 4.24 1.28 0.320 0.319 1.3 0.276 0.227 0.77-.12-.04 .02 .81 .56 .21 0.340 274 31 241 274 20.8 11.754 3.93 1.26 0.360 0.360 1.3 0.321 0.247 0.75-.09 .04 .00 .79 .53 .20 0.380 221 37 203 220 24.4 9.845 3.66 1.23 0.399 0.399 1.4 0.349 0.263 0.75-.11 .02-.01 .78 .58 .21 0.420 206 26 190 203 28.6 9.194 3.70 1.19 0.438 0.397 1.4 0.369 0.327 0.75-.12-.02 .01 .81 .57 .22 0.460 1377 215 749 1362 53.2 5.307 2.35 1.11 0.657 0.659 1.5 0.554 0.547 0.84-.24 .01-.01 1.1 .69 .24 0.500 dI/sig # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 12151 1372 2269 12109 22.1 42.436 9.51 1.56 0.047 0.005 0.5 0.050 0.074 0.61-.08 .02-.01 .70 .50 .18 1.000 5119 600 1984 5102 24.0 51.524 12.39 1.43 0.111 0.001 1.4 0.100 0.075 0.59-.09 .02-.01 .75 .55 .20 2.000 1420 166 980 1413 27.6 72.886 19.14 1.30 0.123 -0.005 2.4 0.110 0.074 0.54-.07 .03-.00 .74 .55 .22 3.000 406 65 335 403 26.4 108.636 26.67 1.27 0.127 -0.009 3.4 0.110 0.051 0.64-.13 .02 .01 .74 .55 .22 4.000 105 17 92 105 21.9 193.618 39.08 1.46 0.113 -0.004 4.4 0.099 0.130 0.64-.07-.10 .02 .72 .58 .22 5.000 45 13 41 45 13.3 403.683 54.51 1.63 0.100 -0.024 5.4 0.092 0.038 0.54-.03-.12 .03 .63 .46 .32 6.000 13 4 11 13 46.2 767.249 83.93 2.07 0.075 -0.024 6.3 0.066 0.014 0.34-.53 .10-.08 1.5 .64 .21 7.000 7 1 5 7 0.0 729.739 65.93 2.56 0.112 0.004 7.4 0.112 0.608 0.80 .41-.01 .06 .73 .32 .22 8.000 4 1 4 4 0.0 453.257 43.11 1.93 0.197 -0.158 8.5 0.162 3.538 0.00-.18-.15 .08 .33 .38 .33 9.000 4 0 4 4 0.0 922.330 75.06 3.59 0.125 -0.035 9.4 0.000 0.000 0.00 .19 .11 .13 .33 .20 .19 10.000 2 1 2 2 0.0 811.649 55.69 3.03 0.189 -0.189 10.5 0.180 0.041 0.29 .28-.12 .11 .30 .13 .11 11.000 2 1 2 2 50.0 833.840 93.09 1.86 0.127 0.097 11.5 0.093 0.045 0.54-.54-.01-.03 .81 .05 .05 12.000 2 0 2 2 50.0 197.293 31.35 1.52 0.409 -0.409 12.8 0.000 0.000 0.00-.67-.40 .18 .88 .58 .28 13.000 2 1 1 2100.0 0.690 0.35 0.4218.257-38.878 13.726.66247.544 0.61-.50 .25 .18 .84 .77 .20 14.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 15.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 16.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 17.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 18.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 19.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 20.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 21.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 22.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 23.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 24.000 1 0 1 1 0.0 1048.100 78.22 3.64 0.410 -0.410 32.1 0.000 0.000 0.00 .16-.09-.34 .16 .09 .34 25.000 Overall # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 19283 2242 2351 19214 23.1 51.382 11.82 1.50 0.080 0.000 1.0 0.076 0.069 0.59-.08 .02-.01 .72 .52 .19 1.000 Centric # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 3080 579 601 3063 31.0 85.064 18.86 1.71 0.055 0.000 0.9 0.049 0.056 0.74-.04 .02-.01 .66 .49 .20 1.000 Coverage Statistics for jain001t.raw .......Shell...... Angstrms #Obs Theory %Compl Redund Rsym Pairs %Pairs Rshell #Sigma %<2s to 1.619 282 281 100.00 11.41 0.046 281 100.00 0.046 27.93 5.7 to 1.286 539 539 100.00 11.24 0.052 538 99.81 0.083 8.57 16.0 to 1.123 776 775 100.00 10.84 0.056 775 100.00 0.091 7.54 13.5 to 1.020 1025 1026 99.90 10.38 0.061 1024 99.81 0.115 6.15 18.3 to 0.947 1262 1263 99.92 9.98 0.065 1261 99.84 0.177 4.53 21.0 to 0.892 1506 1509 99.80 9.61 0.069 1505 99.73 0.249 3.99 31.8 to 0.847 1742 1746 99.77 9.30 0.073 1741 99.71 0.304 3.58 37.3 to 0.810 1975 1975 100.00 9.01 0.077 1974 99.95 0.333 3.56 39.9 to 0.779 2200 2205 99.77 8.62 0.080 2173 98.55 0.424 2.94 46.9 to 0.752 2351 2438 96.43 8.20 0.080 2242 91.96 0.534 1.17 77.1