REMARK ROI 2D Peak Detection System, File: ./test.ft2 REMARK Detection Levels: -1.85522e+08 and 185522 REMARK Detection: X(+/-1) Y(+/-1) REMARK Interpolation: X(+/-1) Y(+/-1) REMARK Noise: 10826, Chi2-Threshold: 1.000000e-04, Local Adjustment: None REMARK Position Tolerances: X(2.0) Y(2.0) REMARK Sinc Detect ON, Height Adjustments: X(1.800) Y(1.200) REMARK Sinc Detect Linewidths: X(5.0Hz) Y(15.0Hz) REMARK Total Peaks: 63, Good Peaks: 63, Questionable Peaks: 0 REMARK Clusters: 32, Max Cluster Size: 20 REMARK ROI Spectral Axis Limits: DATA X_AXIS 1H 1 229 10.089ppm 0.782ppm DATA Y_AXIS 1H 1 1612 10.100ppm 0.648ppm VARS INDEX X_AXIS Y_AXIS DX DY X_PPM Y_PPM X_HZ Y_HZ XW YW XW_HZ YW_HZ X1 X3 Y1 Y3 HEIGHT DHEIGHT VOL PCHI2 TYPE ASS CLUSTID MEMCNT FORMAT %5d %9.3f %9.3f %6.3f %6.3f %8.3f %8.3f %9.3f %9.3f %7.3f %7.3f %8.3f %8.3f %4d %4d %4d %4d %+e %+e %+e %.5f %d %s %4d %4d 1 10.730 72.948 0.158 0.101 9.691 9.678 3877.861 3872.337 2.258 2.780 36.885 6.526 11 11 73 73 2.113178e+05 8.980953e+03 2.051583e+05 0.00000 1 None 1 1 2 40.855 282.691 0.095 0.105 8.462 8.447 3385.816 3379.965 2.197 2.785 35.892 6.537 41 41 282 283 2.852553e+05 9.050927e+03 5.169125e+05 0.00000 1 None 2 1 3 118.945 824.314 0.047 0.109 5.274 5.270 2110.328 2108.501 2.142 3.751 34.992 8.807 118 120 823 826 4.767204e+05 8.572541e+03 3.049881e+06 0.00000 1 None 3 1 4 121.682 843.266 0.164 0.206 5.162 5.158 2065.622 2064.011 2.317 3.592 37.846 8.431 122 122 843 844 2.273469e+05 8.787120e+03 4.187928e+05 0.00000 1 None 4 1 5 123.502 855.843 0.222 0.119 5.088 5.085 2035.903 2034.488 2.475 3.010 40.432 7.066 123 124 856 856 2.612182e+05 9.362130e+03 4.733246e+05 0.00000 1 None 5 1 6 162.124 860.108 0.113 0.185 3.512 5.060 1405.064 2024.474 2.196 3.844 35.865 9.024 162 162 860 860 2.158358e+05 8.510225e+03 2.141161e+05 0.00000 1 None 6 1 7 162.101 863.709 0.114 0.177 3.512 5.038 1405.454 2016.021 2.210 3.281 36.102 7.701 162 162 863 864 2.181153e+05 8.678150e+03 4.038514e+05 0.00000 1 None 7 1 8 156.307 879.393 0.014 0.014 3.749 4.946 1500.082 1979.203 2.428 3.059 39.659 7.180 155 158 878 881 3.082144e+06 9.022792e+03 2.425269e+07 0.00000 1 None 8 2 9 126.979 880.086 0.010 0.076 4.946 4.942 1979.111 1977.577 2.047 7.696 33.434 18.066 126 128 877 883 1.969731e+06 8.159083e+03 1.741332e+07 0.00000 1 None 9 1 10 159.941 880.719 0.006 0.010 3.601 4.939 1440.720 1976.090 2.338 3.702 38.193 8.690 158 162 878 883 4.543786e+06 8.479562e+03 4.537554e+07 0.00000 1 None 8 2 11 112.824 903.564 0.132 0.093 5.524 4.805 2210.311 1922.462 2.947 2.694 48.138 6.325 111 114 903 904 4.386407e+05 9.472099e+03 2.375781e+06 0.00000 1 None 10 2 12 116.995 903.210 0.118 0.055 5.354 4.807 2142.187 1923.293 3.193 2.706 52.152 6.353 116 119 902 904 4.161878e+05 8.721491e+03 3.140188e+06 0.00000 1 None 11 3 13 219.305 902.808 0.032 0.026 1.177 4.809 471.106 1924.235 2.024 2.633 33.063 6.180 219 220 901 904 9.550308e+05 9.622774e+03 3.955326e+06 0.00000 1 None 12 1 14 223.487 902.737 0.639 0.080 1.007 4.809 402.799 1924.403 3.671 2.157 59.953 5.063 223 224 903 903 2.204766e+05 9.456801e+03 3.924528e+05 0.00000 1 None 13 1 15 93.037 904.322 0.250 0.093 6.332 4.800 2533.506 1920.683 2.948 2.115 48.159 4.965 93 93 904 904 2.083851e+05 1.031623e+04 1.986990e+05 0.00000 1 None 14 1 16 98.223 903.612 0.356 0.081 6.120 4.804 2448.804 1922.349 3.430 2.069 56.022 4.856 98 99 903 904 2.185436e+05 8.907929e+03 7.356506e+05 0.00000 1 None 15 1 17 108.000 904.089 13.045 0.039 5.721 4.801 2289.105 1921.228 14.117 2.071 230.572 4.861 107 114 904 904 2.830391e+05 8.281436e+03 2.262626e+06 0.00000 1 None 10 2 18 123.348 903.828 0.151 0.022 5.094 4.803 2038.419 1921.843 4.104 2.484 67.028 5.831 120 126 903 905 8.243124e+05 8.655044e+03 1.189386e+07 0.00000 1 None 11 3 21 130.310 903.616 0.001 0.001 4.810 4.804 1924.709 1922.340 2.374 2.857 38.775 6.707 128 132 902 906 6.291255e+07 9.188593e+03 3.722104e+08 0.00000 1 None 11 3 22 216.799 906.556 0.146 0.210 1.280 4.787 512.033 1915.438 1.954 2.592 31.909 6.086 217 217 906 906 2.094448e+05 1.101498e+04 1.872219e+05 0.00000 1 None 16 1 23 134.982 935.131 0.098 0.081 4.619 4.619 1848.387 1848.358 2.414 2.873 39.434 6.745 135 135 935 936 2.804747e+05 8.543172e+03 4.975048e+05 0.00000 1 None 17 1 24 150.908 968.047 0.120 0.067 3.969 4.426 1588.270 1771.087 2.970 3.076 48.503 7.222 150 152 967 969 3.521354e+05 8.344118e+03 2.169573e+06 0.00000 1 None 18 1 25 140.071 971.281 0.005 0.005 4.412 4.407 1765.281 1763.494 2.223 2.723 36.305 6.391 139 141 969 973 5.391420e+06 8.993067e+03 2.661258e+07 0.00000 1 None 19 1 26 145.234 1005.448 0.146 0.315 4.201 4.207 1680.945 1683.288 2.384 4.011 38.942 9.415 145 145 1005 1006 2.382974e+05 8.611307e+03 4.551547e+05 0.00000 1 None 20 1 27 145.683 1011.100 0.162 0.119 4.183 4.174 1673.608 1670.020 2.544 3.422 41.554 8.032 145 146 1010 1012 2.733133e+05 8.645477e+03 1.272335e+06 0.00000 1 None 21 1 28 147.128 1020.470 0.124 0.443 4.124 4.119 1650.015 1648.025 2.375 4.697 38.794 11.026 147 147 1020 1023 2.347995e+05 8.484408e+03 8.538525e+05 0.00000 1 None 22 2 29 147.882 1023.497 0.098 0.342 4.093 4.101 1637.685 1640.918 2.464 4.694 40.251 11.020 147 148 1021 1025 3.157425e+05 8.488330e+03 2.243654e+06 0.00000 1 None 22 2 30 148.372 1028.825 0.190 0.140 4.073 4.070 1629.695 1628.410 2.624 3.495 42.855 8.204 148 149 1028 1030 2.717752e+05 8.711842e+03 1.293158e+06 0.00000 1 None 23 1 31 149.858 1036.240 0.121 0.516 4.012 4.026 1605.414 1611.005 2.459 6.370 40.167 14.955 149 150 1035 1041 2.501728e+05 8.255216e+03 3.286908e+06 0.00000 1 None 24 20 32 156.286 1038.381 0.382 0.321 3.750 4.014 1500.427 1605.977 3.523 4.071 57.548 9.557 156 157 1038 1039 2.111631e+05 8.399003e+03 7.692479e+05 0.00000 1 None 25 1 33 150.582 1042.168 0.111 0.102 3.983 3.991 1593.585 1597.087 2.801 4.326 45.756 10.155 149 152 1040 1045 5.677442e+05 8.696637e+03 6.933382e+06 0.00000 1 None 24 20 34 151.736 1051.475 0.013 0.023 3.936 3.937 1574.746 1575.240 2.288 3.524 37.366 8.272 150 153 1048 1054 2.697122e+06 8.970211e+03 2.263383e+07 0.00000 1 None 24 20 35 152.182 1055.764 0.042 0.116 3.917 3.912 1567.462 1565.172 2.336 5.007 38.152 11.754 151 153 1052 1059 7.035785e+05 8.432632e+03 1.535688e+07 0.00000 1 None 24 20 36 153.300 1062.130 0.130 0.291 3.872 3.874 1549.193 1550.227 2.449 5.549 40.006 13.025 153 154 1058 1066 2.985629e+05 8.459110e+03 4.780956e+06 0.00000 1 None 24 20 37 154.194 1067.150 0.059 0.071 3.835 3.845 1534.597 1538.442 2.538 3.906 41.450 9.168 153 156 1064 1070 6.069714e+05 8.461089e+03 8.579626e+06 0.00000 1 None 24 20 38 154.847 1072.324 0.047 0.100 3.809 3.814 1523.928 1526.296 2.796 4.816 45.661 11.306 153 157 1069 1075 8.583324e+05 8.330866e+03 1.499238e+07 0.00000 1 None 24 20 39 126.970 1081.421 0.033 0.066 4.946 3.761 1979.251 1504.942 2.125 3.202 34.705 7.516 126 128 1080 1083 6.948129e+05 8.935571e+03 3.786304e+06 0.00000 1 None 26 2 40 156.340 1080.961 0.015 0.009 3.748 3.764 1499.540 1506.020 2.559 3.162 41.796 7.423 155 158 1079 1083 3.122640e+06 8.755760e+03 2.654739e+07 0.00000 1 None 24 20 41 159.762 1081.558 0.013 0.021 3.608 3.760 1443.650 1504.619 2.485 3.662 40.594 8.597 158 162 1079 1085 3.004458e+06 8.752083e+03 4.093314e+07 0.00000 1 None 24 20 42 126.969 1085.753 0.031 0.035 4.947 3.736 1979.269 1494.771 2.201 2.811 35.947 6.598 126 128 1084 1087 7.700769e+05 8.865599e+03 3.917883e+06 0.00000 1 None 26 2 43 156.466 1086.230 0.014 0.007 3.742 3.733 1497.493 1493.651 2.692 2.937 43.966 6.894 155 158 1084 1088 4.734203e+06 9.121641e+03 3.826607e+07 0.00000 1 None 24 20 44 159.780 1085.964 0.008 0.005 3.607 3.734 1443.349 1494.276 2.508 3.062 40.959 7.187 158 162 1084 1088 4.798998e+06 8.638204e+03 4.080680e+07 0.00000 1 None 24 20 45 157.995 1096.186 0.034 0.149 3.680 3.674 1472.517 1470.281 2.607 6.869 42.585 16.126 156 160 1091 1101 9.055874e+05 8.183110e+03 3.105088e+07 0.00000 1 None 24 20 46 126.999 1102.739 0.036 0.101 4.945 3.636 1978.786 1454.897 2.097 4.176 34.253 9.803 126 128 1102 1106 5.704112e+05 8.397992e+03 6.403774e+06 0.00000 1 None 27 2 47 156.396 1102.981 0.021 0.016 3.745 3.635 1498.630 1454.328 2.488 3.654 40.643 8.578 155 158 1100 1106 2.342026e+06 8.795098e+03 3.774600e+07 0.00000 1 None 24 20 48 159.726 1105.061 0.011 0.006 3.609 3.622 1444.236 1449.447 2.550 3.029 41.642 7.110 158 162 1103 1107 3.809320e+06 8.668752e+03 3.403529e+07 0.00000 1 None 24 20 49 127.014 1105.686 0.027 0.036 4.945 3.619 1978.535 1447.978 2.189 2.918 35.757 6.851 126 128 1104 1107 8.943848e+05 8.875555e+03 5.017941e+06 0.00000 1 None 27 2 50 156.414 1105.844 0.014 0.007 3.745 3.618 1498.340 1447.607 2.559 2.891 41.804 6.787 155 158 1104 1108 3.775339e+06 9.000728e+03 3.132788e+07 0.00000 1 None 24 20 51 156.386 1110.209 0.012 0.007 3.746 3.592 1498.792 1437.362 2.521 2.921 41.181 6.857 155 158 1108 1112 4.184587e+06 9.005984e+03 3.246622e+07 0.00000 1 None 24 20 52 126.975 1110.559 0.016 0.048 4.946 3.590 1979.170 1436.539 2.087 3.804 34.093 8.930 126 128 1109 1114 1.367222e+06 8.646703e+03 1.022936e+07 0.00000 1 None 28 1 53 160.103 1110.789 0.004 0.006 3.594 3.589 1438.077 1435.999 2.384 3.659 38.942 8.589 158 162 1108 1114 6.531492e+06 8.441360e+03 7.329378e+07 0.00000 1 None 24 20 54 160.669 1114.412 0.009 0.019 3.571 3.568 1428.833 1427.494 2.347 3.930 38.333 9.226 159 162 1111 1117 4.890072e+06 9.204681e+03 6.797662e+07 0.00000 1 None 24 20 55 162.129 1123.448 0.027 0.081 3.511 3.515 1404.996 1406.282 2.129 3.947 34.773 9.266 161 163 1120 1126 8.903901e+05 8.685738e+03 8.485097e+06 0.00000 1 None 24 20 56 163.039 1129.317 0.077 0.336 3.474 3.480 1390.122 1392.505 2.331 5.497 38.079 12.904 163 164 1125 1130 3.247233e+05 8.284729e+03 3.108610e+06 0.00000 1 None 24 20 57 163.534 1134.889 0.254 0.074 3.454 3.447 1382.045 1379.426 2.626 2.476 42.893 5.813 163 164 1135 1135 2.719931e+05 9.468008e+03 4.943532e+05 0.00000 1 None 29 1 58 192.077 1331.655 0.020 0.029 2.289 2.293 915.836 917.515 2.163 2.981 35.326 6.999 191 193 1330 1333 1.222844e+06 8.953409e+03 6.526130e+06 0.00000 1 None 30 1 59 201.479 1397.229 0.144 0.055 1.905 1.908 762.266 763.579 2.548 2.497 41.615 5.861 201 202 1397 1398 4.294230e+05 9.492349e+03 1.398233e+06 0.00000 1 None 31 1 60 210.362 1458.380 0.158 0.339 1.542 1.550 617.170 620.028 2.338 4.441 38.187 10.426 210 211 1457 1461 2.600081e+05 8.840147e+03 2.254995e+06 0.00000 1 None 32 6 61 211.830 1468.081 0.018 0.024 1.482 1.493 593.189 597.253 2.282 3.837 37.272 9.008 211 213 1465 1471 1.584336e+06 8.475051e+03 1.599024e+07 0.00000 1 None 32 6 62 212.589 1473.563 0.023 0.027 1.452 1.460 580.793 584.385 2.448 3.442 39.983 8.081 211 214 1471 1477 2.197560e+06 9.157003e+03 2.163752e+07 0.00000 1 None 32 6 63 213.037 1477.057 0.018 0.030 1.433 1.440 573.483 576.183 2.179 3.797 35.590 8.914 212 214 1474 1480 1.224205e+06 8.444104e+03 1.572454e+07 0.00000 1 None 32 6 64 213.980 1482.806 0.028 0.107 1.395 1.406 558.080 562.687 2.151 5.238 35.139 12.295 213 215 1479 1487 7.549119e+05 8.278846e+03 1.025946e+07 0.00000 1 None 32 6 65 214.940 1489.982 0.009 0.009 1.356 1.364 542.400 545.842 2.226 2.936 36.355 6.892 214 216 1488 1492 2.585380e+06 8.677286e+03 1.550281e+07 0.00000 1 None 32 6