REMARK ROI 2D Peak Detection System, File: ./test.ft2 REMARK Detection Levels: -6.93123e+07 and 69330.2 REMARK Detection: X(+/-1) Y(+/-1) REMARK Interpolation: X(+/-1) Y(+/-1) REMARK Noise: 6753.23, 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: 100, Good Peaks: 100, Questionable Peaks: 0 REMARK Clusters: 38, Max Cluster Size: 12 REMARK ROI Spectral Axis Limits: DATA X_AXIS 1H 1 105 3.851ppm 1.170ppm DATA Y_AXIS 1H 1 506 4.090ppm 1.127ppm 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 7.132 29.747 0.189 2.693 3.693 3.921 1477.653 1568.906 2.097 9.742 21.633 22.868 7 7 29 30 7.102890e+04 5.099701e+03 1.397615e+05 0.00000 1 None 1 1 2 11.150 85.709 0.020 0.025 3.589 3.593 1436.201 1437.534 2.436 3.339 25.131 7.838 9 12 84 88 9.907815e+05 5.347047e+03 7.645045e+06 0.00000 1 None 2 2 3 17.936 85.670 0.059 0.126 3.414 3.593 1366.200 1437.626 2.067 3.429 21.325 8.049 17 19 84 88 2.230682e+05 5.432046e+03 1.422754e+06 0.00000 1 None 3 2 4 33.612 85.659 0.104 0.068 3.010 3.593 1204.483 1437.651 2.763 3.118 28.504 7.320 32 35 84 88 3.657032e+05 5.537690e+03 3.144222e+06 0.00000 1 None 4 2 5 64.574 85.880 0.095 0.040 2.212 3.592 885.087 1437.134 2.832 3.092 29.219 7.259 63 66 84 88 4.329753e+05 5.471900e+03 3.848530e+06 0.00000 1 None 5 2 6 77.989 85.869 0.024 0.017 1.866 3.592 746.691 1437.158 2.907 3.178 29.984 7.460 76 80 84 88 9.923437e+05 5.195847e+03 9.596821e+06 0.00000 1 None 6 4 7 87.084 85.912 0.070 0.016 1.632 3.591 652.870 1437.058 4.580 2.999 47.246 7.039 84 90 84 88 8.790794e+05 5.103894e+03 1.329109e+07 0.00000 1 None 6 4 8 11.156 90.313 0.021 0.032 3.589 3.566 1436.142 1426.727 2.422 3.596 24.986 8.443 9 12 87 93 9.275689e+05 5.332090e+03 8.972123e+06 0.00000 1 None 2 2 9 17.971 90.344 0.060 0.165 3.413 3.565 1365.832 1426.653 2.035 3.741 20.998 8.782 17 19 87 92 2.068314e+05 5.386192e+03 1.589804e+06 0.00000 1 None 3 2 10 33.611 90.326 0.118 0.083 3.010 3.566 1204.492 1426.697 2.772 3.283 28.600 7.707 32 35 88 92 3.220522e+05 5.486813e+03 2.839328e+06 0.00000 1 None 4 2 11 64.551 90.526 0.102 0.122 2.213 3.564 885.321 1426.226 2.687 3.708 27.718 8.704 63 66 88 92 4.018502e+05 5.689132e+03 3.820794e+06 0.00000 1 None 5 2 12 77.990 90.579 0.028 0.034 1.866 3.564 746.681 1426.103 2.876 3.371 29.673 7.913 76 80 89 93 9.030708e+05 5.319547e+03 8.688904e+06 0.00000 1 None 6 4 13 87.127 90.589 0.075 0.032 1.631 3.564 652.433 1426.079 4.432 3.202 45.724 7.517 84 90 89 93 8.498268e+05 5.266884e+03 1.258195e+07 0.00000 1 None 6 4 14 11.265 114.022 0.180 0.281 3.586 3.427 1435.011 1371.068 1.941 3.698 20.027 8.681 11 11 114 114 8.308972e+04 5.544794e+03 7.998193e+04 0.00000 1 None 7 1 15 17.886 114.314 0.022 0.035 3.416 3.425 1366.709 1370.384 2.476 3.711 25.539 8.712 16 19 111 117 8.882122e+05 5.287446e+03 8.838502e+06 0.00000 1 None 8 2 16 33.609 114.343 0.073 0.061 3.010 3.425 1204.519 1370.317 2.773 3.531 28.608 8.290 32 35 112 117 5.231682e+05 5.471572e+03 5.566000e+06 0.00000 1 None 9 2 17 64.551 114.464 0.163 0.200 2.213 3.424 885.323 1370.032 2.616 3.776 26.990 8.865 63 66 113 117 2.325759e+05 5.653893e+03 2.289783e+06 0.00000 1 None 10 2 18 77.860 114.520 0.028 0.046 1.869 3.424 748.031 1369.901 2.837 3.770 29.266 8.849 76 80 112 118 9.824423e+05 5.372445e+03 1.319547e+07 0.00000 1 None 11 2 19 87.061 114.586 0.087 0.052 1.632 3.423 653.112 1369.746 4.393 3.650 45.319 8.567 84 90 112 118 6.680481e+05 5.210092e+03 1.327942e+07 0.00000 1 None 12 2 20 11.200 119.385 0.138 0.299 3.588 3.395 1435.684 1358.481 1.927 3.322 19.877 7.799 11 11 119 120 9.978739e+04 5.522402e+03 1.884672e+05 0.00000 1 None 13 1 21 17.906 119.792 0.019 0.027 3.415 3.393 1366.507 1357.524 2.482 3.768 25.606 8.845 16 19 117 123 9.944897e+05 5.221851e+03 9.972807e+06 0.00000 1 None 8 2 22 33.610 119.805 0.059 0.042 3.010 3.393 1204.506 1357.493 2.796 3.657 28.847 8.585 32 35 117 122 6.368041e+05 5.383103e+03 6.850839e+06 0.00000 1 None 9 2 23 64.537 119.914 0.157 0.099 2.213 3.392 885.464 1357.237 2.735 3.748 28.213 8.799 63 66 117 122 2.548280e+05 5.464990e+03 2.829076e+06 0.00000 1 None 10 2 24 77.881 119.910 0.024 0.019 1.869 3.392 747.812 1357.246 2.945 3.670 30.379 8.616 76 80 117 123 1.111552e+06 5.156877e+03 1.402921e+07 0.00000 1 None 11 2 25 87.088 119.973 0.074 0.024 1.632 3.392 652.830 1357.098 4.393 3.486 45.319 8.184 84 90 118 122 7.635252e+05 5.083160e+03 1.241729e+07 0.00000 1 None 12 2 26 11.140 181.064 0.148 0.198 3.590 3.033 1436.302 1213.688 2.039 3.319 21.030 7.792 11 11 181 182 9.035055e+04 5.325455e+03 1.631309e+05 0.00000 1 None 14 1 27 17.908 181.347 0.050 0.076 3.415 3.032 1366.480 1213.023 2.449 3.427 25.260 8.045 17 19 179 183 3.763637e+05 5.353593e+03 2.728691e+06 0.00000 1 None 15 3 28 33.634 181.398 0.071 0.058 3.010 3.031 1204.261 1212.903 2.826 3.368 29.157 7.906 32 35 179 183 5.413428e+05 5.491364e+03 4.900917e+06 0.00000 1 None 16 3 29 64.454 181.695 0.241 0.160 2.215 3.030 886.318 1212.206 2.859 3.461 29.492 8.126 63 65 180 185 1.830553e+05 5.473289e+03 1.898680e+06 0.00000 1 None 17 2 30 77.900 181.592 0.052 0.058 1.868 3.030 747.618 1212.447 2.923 3.381 30.157 7.936 76 80 180 184 5.215663e+05 5.297332e+03 5.385372e+06 0.00000 1 None 18 6 31 87.132 181.637 0.132 0.053 1.630 3.030 652.376 1212.342 4.370 3.210 45.079 7.536 84 90 180 184 4.674617e+05 5.222042e+03 7.265670e+06 0.00000 1 None 18 6 32 11.182 186.095 0.094 0.115 3.589 3.004 1435.873 1201.877 2.032 3.191 20.964 7.492 11 12 185 187 1.510152e+05 5.385227e+03 6.052246e+05 0.00000 1 None 19 1 33 17.913 186.377 0.028 0.047 3.415 3.002 1366.437 1201.214 2.429 3.512 25.052 8.245 16 19 184 188 6.669392e+05 5.352263e+03 5.218686e+06 0.00000 1 None 15 3 34 33.627 186.470 0.039 0.038 3.010 3.002 1204.328 1200.998 2.806 3.491 28.948 8.195 32 35 183 189 9.886754e+05 5.537751e+03 1.053190e+07 0.00000 1 None 16 3 35 64.494 186.718 0.149 0.080 2.214 3.000 885.907 1200.415 2.820 3.199 29.092 7.511 63 66 185 189 3.144923e+05 5.612626e+03 2.747742e+06 0.00000 1 None 17 2 36 77.903 186.622 0.029 0.030 1.868 3.001 747.588 1200.640 2.948 3.342 30.406 7.846 76 80 185 189 9.481338e+05 5.296092e+03 9.352083e+06 0.00000 1 None 18 6 37 87.155 186.691 0.084 0.026 1.630 3.000 652.143 1200.478 4.560 3.127 47.043 7.341 84 90 185 189 8.178773e+05 5.198045e+03 1.220846e+07 0.00000 1 None 18 6 38 17.977 191.539 0.058 0.118 3.413 2.972 1365.773 1189.097 2.418 3.544 24.941 8.320 17 19 189 193 3.079319e+05 5.397916e+03 2.401689e+06 0.00000 1 None 15 3 39 33.640 191.617 0.081 0.066 3.009 2.971 1204.193 1188.915 2.856 3.416 29.460 8.019 32 35 190 194 4.774509e+05 5.455786e+03 4.376606e+06 0.00000 1 None 16 3 40 64.549 191.844 0.299 0.142 2.213 2.970 885.339 1188.382 2.778 3.164 28.655 7.428 64 65 191 193 1.372782e+05 5.512329e+03 6.469499e+05 0.00000 1 None 20 1 41 77.905 191.802 0.058 0.043 1.868 2.970 747.559 1188.481 2.950 3.240 30.434 7.606 76 80 190 194 4.553609e+05 5.214608e+03 4.413696e+06 0.00000 1 None 18 6 42 87.100 191.789 0.156 0.045 1.631 2.970 652.705 1188.511 4.478 3.065 46.193 7.196 84 90 190 194 3.874332e+05 5.147911e+03 5.669688e+06 0.00000 1 None 18 6 43 11.237 317.331 0.160 0.463 3.587 2.234 1435.300 893.801 1.889 3.966 19.490 9.310 11 11 317 318 8.452358e+04 5.435615e+03 1.610987e+05 0.00000 1 None 21 1 44 17.951 317.778 0.084 0.301 3.414 2.231 1366.042 892.752 2.077 4.825 21.430 11.327 17 19 316 321 1.495615e+05 5.196400e+03 1.376845e+06 0.00000 1 None 22 2 45 33.603 317.986 0.174 0.171 3.010 2.230 1204.578 892.263 2.624 4.400 27.065 10.329 33 35 316 321 1.890304e+05 5.377526e+03 1.927397e+06 0.00000 1 None 23 2 46 64.439 318.208 0.066 0.057 2.215 2.229 886.476 891.741 2.874 4.225 29.648 9.919 63 66 315 321 6.445787e+05 5.397424e+03 8.448922e+06 0.00000 1 None 24 2 47 77.927 318.340 0.037 0.075 1.868 2.228 747.337 891.431 2.761 4.409 28.485 10.351 76 80 315 321 6.074706e+05 5.178668e+03 8.374966e+06 0.00000 1 None 25 4 48 86.946 318.182 0.057 0.036 1.635 2.229 654.299 891.802 4.171 4.238 43.023 9.950 84 90 315 321 8.736198e+05 5.089176e+03 1.878475e+07 0.00000 1 None 25 4 49 11.177 323.211 0.096 0.233 3.589 2.199 1435.920 879.997 1.884 3.844 19.438 9.024 11 12 322 324 1.240592e+05 5.289440e+03 5.148441e+05 0.00000 1 None 26 1 50 17.973 323.470 0.071 0.275 3.413 2.198 1365.819 879.388 2.040 3.929 21.040 9.224 17 19 320 325 1.805123e+05 5.402252e+03 1.532782e+06 0.00000 1 None 22 2 51 33.652 323.645 0.132 0.196 3.009 2.197 1204.068 878.978 2.542 4.101 26.228 9.627 33 35 321 326 2.233342e+05 5.431792e+03 2.098297e+06 0.00000 1 None 23 2 52 64.555 323.893 0.053 0.037 2.212 2.195 885.284 878.397 2.811 4.012 29.001 9.419 63 66 321 327 7.764661e+05 5.408775e+03 9.646153e+06 0.00000 1 None 24 2 53 77.945 323.909 0.032 0.039 1.867 2.195 747.149 878.359 2.874 4.236 29.644 9.943 76 80 321 327 7.352556e+05 5.121803e+03 1.027311e+07 0.00000 1 None 25 4 54 86.938 323.968 0.048 0.021 1.635 2.195 654.378 878.219 4.308 3.879 44.444 9.105 84 90 321 327 1.095255e+06 5.079604e+03 2.239469e+07 0.00000 1 None 25 4 55 11.164 378.683 0.049 0.231 3.589 1.874 1436.053 749.775 1.932 4.978 19.926 11.687 11 12 375 383 2.493001e+05 5.261155e+03 2.504092e+06 0.00000 1 None 27 2 56 17.914 378.983 0.022 0.070 3.415 1.872 1366.425 749.071 2.287 5.612 23.597 13.175 17 19 375 383 6.839680e+05 5.126535e+03 1.057854e+07 0.00000 1 None 28 2 57 33.632 378.956 0.056 0.072 3.010 1.872 1204.282 749.134 2.667 5.033 27.514 11.816 32 35 375 383 5.778356e+05 5.295774e+03 1.052603e+07 0.00000 1 None 29 2 58 64.539 379.225 0.064 0.094 2.213 1.871 885.447 748.504 2.702 5.140 27.869 12.065 63 66 375 383 6.078544e+05 5.431244e+03 1.110906e+07 0.00000 1 None 30 2 59 77.911 379.393 0.015 0.052 1.868 1.870 747.505 748.108 2.758 5.594 28.452 13.131 76 80 375 383 1.523024e+06 5.147175e+03 3.122514e+07 0.00000 1 None 31 2 60 87.006 379.339 0.033 0.038 1.634 1.870 653.676 748.236 4.160 4.922 42.912 11.554 84 90 376 382 1.488989e+06 5.109862e+03 3.680206e+07 0.00000 1 None 32 2 61 11.189 384.031 0.067 0.140 3.588 1.842 1435.798 737.222 1.965 4.131 20.274 9.697 11 12 381 386 1.939170e+05 5.256646e+03 1.455172e+06 0.00000 1 None 27 2 62 17.932 383.826 0.032 0.122 3.414 1.844 1366.243 737.704 2.266 5.656 23.380 13.279 17 19 380 387 4.630991e+05 5.111540e+03 7.250711e+06 0.00000 1 None 28 2 63 33.618 384.108 0.080 0.116 3.010 1.842 1204.418 737.040 2.690 5.279 27.749 12.392 32 35 380 387 4.178840e+05 5.305496e+03 7.676409e+06 0.00000 1 None 29 2 64 64.552 384.065 0.082 0.124 2.213 1.842 885.305 737.142 2.694 5.718 27.786 13.423 63 66 380 387 4.552710e+05 5.390348e+03 8.687525e+06 0.00000 1 None 30 2 65 77.973 383.918 0.021 0.064 1.867 1.843 746.858 737.488 2.804 6.591 28.928 15.471 76 80 379 388 1.054508e+06 5.081459e+03 2.893622e+07 0.00000 1 None 31 2 66 87.022 384.093 0.046 0.066 1.633 1.842 653.514 737.077 4.130 6.592 42.606 15.475 84 90 379 388 1.028711e+06 5.057690e+03 4.260144e+07 0.00000 1 None 32 2 67 17.884 407.124 0.128 0.235 3.416 1.707 1366.731 683.010 2.287 4.192 23.593 9.841 17 18 406 410 1.265477e+05 5.249291e+03 9.678964e+05 0.00000 1 None 33 6 68 33.563 407.330 0.292 0.328 3.011 1.706 1204.994 682.528 2.698 4.085 27.836 9.589 33 34 406 410 1.303900e+05 5.483339e+03 1.119774e+06 0.00000 1 None 34 6 69 64.493 407.368 0.200 0.153 2.214 1.706 885.918 682.438 2.920 3.692 30.122 8.666 63 66 406 410 2.468544e+05 5.548903e+03 2.953413e+06 0.00000 1 None 35 6 70 77.929 407.456 0.061 0.112 1.868 1.705 747.312 682.231 2.762 3.886 28.493 9.123 76 80 405 410 3.816502e+05 5.279480e+03 5.007326e+06 0.00000 1 None 36 12 71 86.964 407.439 0.135 0.085 1.635 1.705 654.115 682.272 4.271 3.549 44.058 8.331 84 90 405 410 4.038813e+05 5.231229e+03 7.857959e+06 0.00000 1 None 36 12 72 11.212 411.737 0.075 0.124 3.588 1.680 1435.562 672.180 2.036 3.391 21.002 7.960 11 12 410 414 2.028761e+05 5.424130e+03 1.078410e+06 0.00000 1 None 37 3 73 17.899 412.279 0.042 0.096 3.415 1.677 1366.576 670.910 2.264 4.092 23.351 9.605 17 19 409 415 3.745103e+05 5.241968e+03 3.641674e+06 0.00000 1 None 33 6 74 33.657 412.435 0.078 0.115 3.009 1.676 1204.020 670.543 2.635 4.005 27.177 9.402 32 35 409 415 4.095794e+05 5.441683e+03 4.889906e+06 0.00000 1 None 34 6 75 64.520 412.519 0.056 0.068 2.213 1.675 885.638 670.345 2.730 3.855 28.160 9.050 63 66 410 416 7.769168e+05 5.664101e+03 1.044116e+07 0.00000 1 None 35 6 76 77.934 412.653 0.020 0.039 1.868 1.675 747.264 670.032 2.839 4.396 29.285 10.321 76 80 410 416 1.163658e+06 5.158022e+03 1.700373e+07 0.00000 1 None 36 12 77 86.953 412.546 0.046 0.040 1.635 1.675 654.228 670.283 4.286 4.131 44.209 9.698 84 90 410 416 1.179816e+06 5.184288e+03 2.557124e+07 0.00000 1 None 36 12 78 11.162 417.277 0.059 0.118 3.589 1.647 1436.077 659.176 2.001 3.509 20.644 8.238 10 12 415 419 2.273830e+05 5.307333e+03 1.385468e+06 0.00000 1 None 37 3 79 17.908 417.878 0.032 0.076 3.415 1.644 1366.482 657.764 2.226 4.611 22.963 10.823 17 19 415 421 4.645668e+05 5.192528e+03 4.919682e+06 0.00000 1 None 33 6 80 33.642 417.978 0.066 0.072 3.009 1.643 1204.173 657.530 2.637 4.542 27.199 10.662 32 35 415 421 4.712236e+05 5.322204e+03 6.452288e+06 0.00000 1 None 34 6 81 64.558 417.919 0.041 0.031 2.212 1.644 885.252 657.669 2.760 4.094 28.468 9.611 63 66 415 421 9.521091e+05 5.406774e+03 1.266500e+07 0.00000 1 None 35 6 82 77.935 418.097 0.016 0.020 1.868 1.643 747.252 657.252 2.825 4.219 29.144 9.903 76 80 415 421 1.451112e+06 5.125128e+03 2.124618e+07 0.00000 1 None 36 12 83 86.986 418.054 0.034 0.016 1.634 1.643 653.882 657.351 4.244 3.948 43.781 9.268 84 90 415 421 1.474300e+06 5.070949e+03 3.213121e+07 0.00000 1 None 36 12 84 11.194 422.697 0.056 0.090 3.588 1.616 1435.751 646.452 1.975 3.109 20.374 7.299 11 12 421 424 2.566569e+05 5.583910e+03 1.139833e+06 0.00000 1 None 37 3 85 17.924 422.875 0.029 0.035 3.415 1.615 1366.316 646.034 2.289 3.323 23.612 7.800 17 19 421 425 5.380437e+05 5.269083e+03 3.843784e+06 0.00000 1 None 33 6 86 33.630 422.941 0.064 0.035 3.010 1.614 1204.300 645.879 2.748 3.359 28.349 7.886 32 35 421 425 5.476384e+05 5.382683e+03 5.133280e+06 0.00000 1 None 34 6 87 64.549 423.082 0.042 0.020 2.213 1.613 885.343 645.548 2.833 3.356 29.224 7.879 63 66 421 425 1.005072e+06 5.466236e+03 9.707934e+06 0.00000 1 None 35 6 88 77.932 423.207 0.015 0.014 1.868 1.613 747.281 645.255 2.866 3.481 29.568 8.171 76 80 421 425 1.625620e+06 5.215285e+03 1.722363e+07 0.00000 1 None 36 12 89 87.014 423.161 0.033 0.011 1.633 1.613 653.598 645.363 4.357 3.274 44.944 7.685 84 90 421 425 1.623158e+06 5.119095e+03 2.596616e+07 0.00000 1 None 36 12 90 11.222 427.161 0.138 0.147 3.587 1.589 1435.454 635.975 1.981 2.877 20.439 6.754 11 11 427 428 1.058001e+05 5.466574e+03 1.858980e+05 0.00000 1 None 38 1 91 17.928 427.572 0.061 0.140 3.415 1.587 1366.278 635.009 2.267 3.655 23.381 8.579 17 19 425 431 2.631062e+05 5.354759e+03 2.567252e+06 0.00000 1 None 33 6 92 33.628 427.626 0.133 0.133 3.010 1.587 1204.322 634.883 2.717 3.630 28.025 8.522 32 35 425 431 2.668519e+05 5.474171e+03 3.391215e+06 0.00000 1 None 34 6 93 64.573 427.695 0.086 0.072 2.212 1.586 885.097 634.721 2.783 3.713 28.706 8.716 63 66 425 431 4.663002e+05 5.467327e+03 6.540276e+06 0.00000 1 None 35 6 94 77.945 427.811 0.029 0.030 1.867 1.586 747.145 634.447 2.887 3.723 29.786 8.741 76 80 425 431 8.364196e+05 5.163389e+03 1.308067e+07 0.00000 1 None 36 12 95 87.062 427.797 0.074 0.028 1.632 1.586 653.097 634.481 4.493 3.434 46.352 8.061 84 90 426 430 7.839193e+05 5.119611e+03 1.342322e+07 0.00000 1 None 36 12 96 17.953 432.395 0.105 0.282 3.414 1.559 1366.024 623.688 2.265 3.990 23.367 9.367 17 19 429 434 1.449742e+05 5.239549e+03 1.525849e+06 0.00000 1 None 33 6 97 33.675 432.894 0.240 0.194 3.009 1.556 1203.830 622.515 2.715 3.844 28.004 9.024 33 34 430 434 1.303225e+05 5.285176e+03 9.805345e+05 0.00000 1 None 34 6 98 64.515 432.792 0.173 0.109 2.213 1.556 885.689 622.754 2.840 3.648 29.292 8.564 63 66 430 435 2.591692e+05 5.497598e+03 3.121710e+06 0.00000 1 None 35 6 99 77.968 432.799 0.053 0.056 1.867 1.556 746.910 622.738 2.905 3.731 29.965 8.759 76 80 430 436 4.579035e+05 5.161642e+03 6.666879e+06 0.00000 1 None 36 12 100 87.227 432.889 0.183 0.045 1.628 1.556 651.398 622.528 4.730 3.484 48.793 8.179 84 90 431 435 4.341186e+05 5.103075e+03 7.468580e+06 0.00000 1 None 36 12