REMARK ROI 2D Peak Detection System, File: ./test.ft2 REMARK Detection Levels: -7.79875e+07 and 77508.5 REMARK Detection: X(+/-1) Y(+/-1) REMARK Interpolation: X(+/-1) Y(+/-1) REMARK Noise: 21753.6, 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: 92, Good Peaks: 42, Questionable Peaks: 50 REMARK Clusters: 57, Max Cluster Size: 10 REMARK ROI Spectral Axis Limits: DATA X_AXIS 1H 1 89 5.664ppm 3.017ppm DATA Y_AXIS 1H 1 530 5.960ppm 2.856ppm 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 68.822 93.005 1.204 0.746 3.624 5.420 1450.139 2168.769 2.972 3.427 35.763 8.046 69 69 93 93 7.970110e+04 1.700922e+04 7.912776e+04 0.03144 2 None 1 1 2 76.292 93.555 0.922 0.984 3.399 5.417 1360.231 2167.478 2.278 2.869 27.413 6.734 76 76 94 94 8.386334e+04 1.880634e+04 7.756091e+04 0.07978 2 None 2 1 3 9.763 98.810 0.689 0.731 5.401 5.386 2160.919 2155.144 3.007 4.345 36.185 10.200 8 11 96 101 1.516597e+05 1.646165e+04 2.168319e+06 0.00000 1 None 3 1 4 60.756 134.249 0.753 0.698 3.867 5.178 1547.215 2071.950 2.297 2.974 27.642 6.982 61 61 134 135 8.610871e+04 1.729139e+04 1.606919e+05 0.04915 2 None 4 1 5 56.508 153.994 3.762 0.912 3.995 5.062 1598.334 2025.598 4.093 3.783 49.264 8.881 56 56 154 154 8.040853e+04 1.679156e+04 7.792692e+04 0.01093 2 None 5 1 6 47.392 166.154 1.382 0.638 4.269 4.991 1708.047 1997.051 2.730 2.969 32.852 6.970 47 47 166 166 8.704878e+04 1.812428e+04 8.305390e+04 0.03711 2 None 6 1 7 60.921 168.798 0.472 0.766 3.862 4.975 1545.223 1990.846 1.943 3.123 23.383 7.330 61 61 169 169 7.924452e+04 1.735860e+04 7.832741e+04 0.12370 2 None 7 1 8 55.101 172.951 13.613 0.586 4.037 4.951 1615.271 1981.096 10.423 3.013 125.440 7.072 55 55 173 173 7.891677e+04 1.703504e+04 7.886041e+04 0.01367 2 None 8 1 9 29.820 174.372 0.401 0.876 4.797 4.943 1919.533 1977.759 2.246 3.865 27.036 9.074 29 30 173 177 1.396502e+05 1.708838e+04 1.192480e+06 0.00014 2 None 9 10 10 39.933 176.013 0.671 0.805 4.493 4.933 1797.827 1973.908 2.694 4.067 32.426 9.547 40 40 175 177 9.941898e+04 1.636494e+04 2.717151e+05 0.00311 2 None 10 1 11 84.009 177.592 0.371 1.549 3.167 4.924 1267.355 1970.202 2.068 4.449 24.883 10.443 84 84 176 181 1.073845e+05 1.671828e+04 5.650666e+05 0.00608 2 None 11 2 12 84.006 181.255 0.285 1.471 3.167 4.902 1267.396 1961.602 1.837 4.946 22.105 11.610 84 84 178 183 1.083132e+05 1.663217e+04 5.730696e+05 0.01039 2 None 11 2 13 55.889 183.339 0.626 2.840 4.013 4.890 1605.792 1956.710 2.537 6.153 30.537 14.443 56 56 182 187 9.901857e+04 1.635815e+04 6.201911e+05 0.00219 2 None 12 6 14 61.052 186.180 0.229 3.488 3.858 4.873 1543.655 1950.041 1.600 7.885 19.254 18.510 61 61 185 192 1.039938e+05 1.675629e+04 9.876771e+05 0.02238 2 None 12 6 15 47.503 186.477 1.147 2.082 4.265 4.872 1706.714 1949.343 3.101 5.391 37.327 12.655 47 49 185 190 1.546002e+05 1.750441e+04 2.047782e+06 0.00000 1 None 13 2 16 4.191 188.318 0.411 2.057 5.568 4.861 2227.988 1945.021 1.728 4.652 20.801 10.920 4 4 188 188 8.254188e+04 1.757571e+04 7.983023e+04 0.00454 2 None 14 1 17 83.853 187.437 0.255 2.162 3.172 4.866 1269.233 1947.089 1.822 5.225 21.931 12.266 83 84 186 191 1.336633e+05 1.654673e+04 1.196528e+06 0.00055 2 None 15 5 18 7.938 190.028 0.212 0.615 5.455 4.851 2182.884 1941.008 1.689 3.949 20.333 9.269 8 8 189 193 1.220754e+05 1.619898e+04 5.184020e+05 0.00597 2 None 9 10 19 60.855 190.981 0.277 7.052 3.864 4.845 1546.016 1938.770 2.025 7.985 24.373 18.744 60 61 185 193 1.566107e+05 1.690598e+04 1.795892e+06 0.00001 1 None 12 6 20 41.017 192.000 0.159 274.042 4.460 4.839 1784.771 1936.378 1.354 21.330 16.299 50.071 41 41 189 195 1.575500e+05 1.632075e+04 9.248774e+05 0.00003 1 None 16 2 21 3.991 193.021 0.099 0.669 5.574 4.833 2230.389 1933.981 1.501 5.315 18.061 12.477 4 4 190 197 2.104344e+05 1.682505e+04 1.104465e+06 0.00000 1 None 9 10 22 48.286 192.947 0.524 0.178 4.242 4.834 1697.291 1934.154 4.031 3.727 48.518 8.748 47 51 190 195 3.858985e+05 1.628442e+04 6.077327e+06 0.00000 1 None 13 2 23 55.998 192.964 0.132 0.174 4.010 4.834 1604.479 1934.115 2.649 4.128 31.881 9.690 55 58 190 196 4.809512e+05 1.651683e+04 5.175252e+06 0.00000 1 None 12 6 24 59.929 192.846 0.330 0.343 3.892 4.834 1557.167 1934.393 2.575 3.418 30.985 8.024 58 61 191 195 1.849833e+05 1.628680e+04 1.815435e+06 0.00000 1 None 12 6 25 69.487 192.648 1.044 0.525 3.604 4.836 1442.128 1934.856 2.589 2.705 31.161 6.351 69 70 192 193 1.368859e+05 2.005506e+04 4.358652e+05 0.00125 2 None 17 1 26 83.212 193.035 0.600 0.343 3.191 4.833 1276.950 1933.949 3.617 4.103 43.527 9.631 80 84 191 196 2.451132e+05 1.666955e+04 6.196480e+06 0.00000 1 None 15 5 27 40.256 194.498 0.297 1.280 4.483 4.825 1793.939 1930.514 1.819 4.152 21.894 9.747 40 41 194 196 1.558363e+05 1.932382e+04 6.074099e+05 0.00000 1 None 16 2 28 67.761 194.062 0.665 6.677 3.656 4.827 1462.907 1931.538 2.044 5.624 24.605 13.203 68 68 195 195 9.173075e+04 1.988929e+04 8.463495e+04 0.00392 2 None 18 1 29 77.394 195.239 0.527 0.263 3.366 4.820 1346.975 1928.775 3.509 3.787 42.233 8.890 75 79 193 198 3.572592e+05 1.680377e+04 4.568482e+06 0.00000 1 None 15 5 30 60.891 196.000 0.292 14.997 3.863 4.816 1545.588 1926.988 1.703 0.000 20.497 0.000 61 61 196 196 7.723179e+04 1.644055e+04 9.858448e+04 0.00215 2 None 12 6 31 66.244 195.453 0.405 1.703 3.702 4.819 1481.160 1928.273 1.803 3.943 21.700 9.257 66 66 195 196 1.132804e+05 1.964061e+04 2.041373e+05 0.00000 1 None 19 1 32 86.877 195.617 0.106 0.891 3.081 4.818 1232.842 1927.887 1.620 5.178 19.497 12.156 86 87 192 197 2.484415e+05 1.683347e+04 1.629049e+06 0.00000 1 None 15 5 33 4.992 197.326 0.237 0.647 5.544 4.808 2218.341 1923.876 1.971 3.667 23.722 8.609 4 5 196 198 1.728665e+05 1.896579e+04 4.813536e+05 0.00001 1 None 9 10 34 15.842 197.915 0.102 0.060 5.218 4.805 2087.764 1922.493 2.657 2.901 31.983 6.809 15 18 196 199 7.252319e+05 1.683927e+04 5.948192e+06 0.00000 1 None 9 10 35 10.591 198.732 0.134 0.027 5.376 4.800 2150.954 1920.575 3.521 2.420 42.381 5.682 8 12 197 200 1.605094e+06 1.829585e+04 1.325175e+07 0.00000 1 None 9 10 36 81.864 198.663 0.064 0.190 3.232 4.800 1293.169 1920.736 2.017 4.025 24.271 9.449 81 83 196 201 6.871671e+05 1.783413e+04 4.569925e+06 0.00000 1 None 15 5 37 29.830 200.246 0.000 0.001 4.797 4.791 1919.409 1917.020 2.284 3.857 27.491 9.055 28 31 197 203 1.224666e+08 1.711098e+04 1.169528e+09 0.00000 1 None 9 10 38 67.000 199.704 0.000 0.213 3.679 4.794 1472.065 1918.292 1.555 2.656 18.714 6.235 67 67 199 200 3.151615e+05 2.306972e+04 5.357448e+05 0.00000 1 None 20 1 39 58.331 202.306 0.177 0.151 3.940 4.779 1576.395 1912.186 2.059 2.577 24.781 6.050 58 59 201 204 3.878042e+05 1.995860e+04 1.559690e+06 0.00000 1 None 21 1 40 70.168 202.408 0.151 0.049 3.584 4.778 1433.934 1911.945 3.138 2.137 37.766 5.017 69 72 202 204 8.182751e+05 1.835898e+04 5.386844e+06 0.00000 1 None 22 4 41 85.795 202.310 0.077 0.086 3.114 4.779 1245.868 1912.175 1.888 2.505 22.720 5.880 85 86 201 204 6.298651e+05 1.997467e+04 2.264443e+06 0.00000 1 None 23 1 42 13.688 203.032 0.117 0.092 5.282 4.775 2113.684 1910.482 2.299 3.234 27.670 7.592 13 15 202 205 6.025671e+05 1.713875e+04 3.897295e+06 0.00000 1 None 24 1 43 63.131 203.438 0.092 0.492 3.795 4.772 1518.635 1909.528 1.648 4.069 19.833 9.553 63 64 202 206 3.268109e+05 1.830892e+04 1.959738e+06 0.00000 1 None 25 4 44 73.787 203.268 0.300 0.147 3.475 4.773 1390.381 1909.927 2.229 2.060 26.827 4.835 72 74 203 204 2.143692e+05 1.872173e+04 8.697842e+05 0.00000 1 None 22 4 45 2.112 203.397 0.219 2.455 5.631 4.772 2253.008 1909.624 1.592 5.042 19.163 11.837 2 2 203 205 1.230563e+05 1.771473e+04 3.198332e+05 0.00000 1 None 26 1 46 9.963 204.041 0.350 0.334 5.395 4.769 2158.512 1908.112 1.704 2.262 20.507 5.309 10 10 204 204 1.204460e+05 2.633891e+04 1.202567e+05 0.00000 1 None 27 1 47 82.000 205.448 0.000 2.108 3.228 4.760 1291.537 1904.809 1.429 6.793 17.198 15.946 82 82 204 207 2.046368e+05 1.730997e+04 6.498656e+05 0.00000 1 None 28 1 48 44.840 206.485 0.197 0.765 4.345 4.754 1738.760 1902.375 1.731 3.621 20.837 8.500 44 45 205 207 1.845579e+05 1.904142e+04 6.352178e+05 0.00006 1 None 29 1 49 64.066 207.395 0.075 0.297 3.767 4.749 1507.378 1900.238 1.985 4.248 23.887 9.971 63 65 204 210 5.059238e+05 1.687323e+04 4.141656e+06 0.00000 1 None 25 4 50 19.003 208.308 0.151 0.603 5.123 4.744 2049.723 1898.096 2.237 5.071 26.922 11.904 18 20 204 211 2.987652e+05 1.636349e+04 4.480260e+06 0.00000 1 None 9 10 51 73.061 207.308 0.382 1.866 3.497 4.750 1399.123 1900.443 2.499 4.913 30.079 11.534 72 75 206 210 1.662539e+05 1.743062e+04 1.828398e+06 0.00000 1 None 22 4 52 52.961 209.238 0.272 0.409 4.101 4.738 1641.025 1895.912 2.130 3.173 25.633 7.449 52 53 208 210 1.564175e+05 1.678793e+04 6.027478e+05 0.00007 1 None 30 1 53 59.006 210.287 0.184 1.120 3.919 4.732 1568.278 1893.449 1.503 4.299 18.090 10.092 59 59 209 211 1.186558e+05 1.743480e+04 3.069471e+05 0.00513 2 None 31 1 54 63.432 212.000 0.385 8.786 3.786 4.722 1515.011 1889.428 2.008 8.155 24.162 19.145 63 64 206 218 1.874434e+05 1.926193e+04 4.663962e+06 0.00000 1 None 25 4 55 5.982 212.755 0.192 0.764 5.514 4.718 2206.426 1887.656 1.748 4.178 21.032 9.808 6 6 210 215 1.453706e+05 1.653440e+04 6.982716e+05 0.00062 2 None 32 1 56 72.887 214.152 0.829 0.542 3.502 4.709 1401.217 1884.376 3.204 3.445 38.561 8.088 72 74 212 215 1.194810e+05 1.636741e+04 9.758554e+05 0.00015 2 None 22 4 57 19.385 214.779 2.139 0.735 5.111 4.706 2045.125 1882.905 3.600 3.259 43.322 7.651 19 20 214 215 9.145160e+04 1.677862e+04 3.336904e+05 0.00569 2 None 33 1 58 43.245 216.913 0.498 2.102 4.393 4.693 1757.963 1877.894 2.021 6.152 24.327 14.442 43 43 216 218 9.560241e+04 1.671052e+04 2.687777e+05 0.01107 2 None 34 1 59 58.798 216.618 0.364 2.911 3.926 4.695 1570.773 1878.588 1.777 5.762 21.381 13.526 59 59 216 218 9.737605e+04 1.712031e+04 2.657498e+05 0.02064 2 None 35 1 60 63.371 217.849 0.453 14.029 3.788 4.688 1515.738 1875.698 1.959 10.097 23.579 23.703 63 64 211 219 1.264500e+05 1.777713e+04 2.128066e+06 0.00034 2 None 25 4 61 6.014 218.401 0.275 1.430 5.513 4.684 2206.047 1874.401 1.850 4.468 22.269 10.489 6 6 217 221 1.154952e+05 1.663931e+04 5.102943e+05 0.00582 2 None 36 2 62 13.735 218.259 0.692 2.173 5.281 4.685 2113.127 1874.735 2.162 5.111 26.019 11.999 14 14 218 221 8.364250e+04 1.708493e+04 3.216629e+05 0.03250 2 None 37 2 63 5.941 220.975 0.318 0.942 5.515 4.669 2206.925 1868.359 1.903 4.487 22.905 10.533 6 6 218 222 1.018326e+05 1.604596e+04 5.129788e+05 0.01130 2 None 36 2 64 13.415 221.175 0.904 0.863 5.291 4.668 2116.969 1867.889 2.335 3.570 28.098 8.380 13 14 221 222 9.773297e+04 1.795258e+04 3.168178e+05 0.01233 2 None 37 2 65 42.909 227.561 0.543 1.544 4.404 4.631 1762.012 1852.898 2.051 3.438 24.680 8.070 43 43 227 228 8.472466e+04 1.804779e+04 1.577804e+05 0.07343 2 None 38 1 66 26.383 230.916 1.147 5.928 4.901 4.611 1960.905 1845.023 2.478 9.215 29.824 21.633 26 26 231 231 8.431851e+04 1.818719e+04 8.028836e+04 0.02082 2 None 39 1 67 27.194 233.037 1.576 1.303 4.876 4.599 1951.136 1840.045 3.363 4.525 40.476 10.624 27 27 233 233 8.021516e+04 1.703802e+04 7.966983e+04 0.01328 2 None 40 1 68 29.793 233.452 0.212 3.777 4.798 4.596 1919.860 1839.070 2.079 9.575 25.026 22.478 29 30 226 240 2.267024e+05 1.677067e+04 6.063662e+06 0.00000 1 None 9 10 69 1.963 234.593 0.552 0.970 5.635 4.589 2254.797 1836.391 2.143 3.062 25.794 7.188 2 2 235 235 8.540430e+04 1.793240e+04 8.234262e+04 0.07611 2 None 41 1 70 29.713 239.536 0.760 4.866 4.800 4.560 1920.826 1824.788 2.258 6.560 27.173 15.399 30 30 235 240 8.607229e+04 1.700138e+04 7.796739e+05 0.01743 2 None 9 10 71 29.314 249.883 1.220 1.154 4.812 4.500 1925.627 1800.497 2.746 4.149 33.043 9.740 29 29 250 250 8.294069e+04 1.701597e+04 8.065584e+04 0.01994 2 None 42 1 72 68.024 341.197 0.832 0.889 3.648 3.964 1459.747 1586.138 2.697 3.480 32.462 8.169 68 68 341 341 8.015909e+04 1.658014e+04 7.963518e+04 0.03159 2 None 43 1 73 58.274 342.043 1.485 0.595 3.941 3.959 1577.088 1584.152 3.282 3.259 39.503 7.650 58 59 342 342 9.143960e+04 1.693156e+04 1.723119e+05 0.00858 2 None 44 1 74 62.268 356.956 1.153 1.040 3.821 3.872 1529.019 1549.144 3.265 4.840 39.296 11.362 62 63 356 360 1.151396e+05 1.689294e+04 9.970421e+05 0.00014 2 None 45 2 75 62.039 362.130 0.817 1.943 3.828 3.841 1531.770 1536.998 3.488 7.036 41.984 16.517 61 64 357 365 1.350279e+05 1.638536e+04 3.225706e+06 0.00000 1 None 45 2 76 65.236 374.846 1.327 0.941 3.732 3.767 1493.292 1507.147 3.413 4.149 41.075 9.740 65 66 373 376 1.030085e+05 1.669573e+04 6.832096e+05 0.00083 2 None 46 1 77 61.574 380.722 2.466 1.041 3.842 3.732 1537.369 1493.352 3.636 3.588 43.756 8.423 62 62 380 381 9.012327e+04 1.750012e+04 1.676314e+05 0.00758 2 None 47 1 78 66.133 382.000 0.937 260.808 3.705 3.725 1482.495 1490.352 3.442 0.000 41.427 0.000 65 67 382 382 1.021758e+05 1.491196e+04 2.915147e+05 0.00003 1 None 48 6 79 68.606 386.382 4.849 1.099 3.631 3.699 1452.740 1480.066 5.556 3.684 66.867 8.649 65 70 386 389 1.038574e+05 1.739007e+04 2.529111e+06 0.00057 2 None 48 6 80 66.269 387.372 0.889 6.583 3.701 3.693 1480.860 1477.741 3.224 10.814 38.807 25.387 65 68 379 395 1.468657e+05 1.696647e+04 6.657478e+06 0.00000 1 None 48 6 81 67.089 388.868 0.935 1.185 3.676 3.684 1470.991 1474.228 3.843 5.751 46.250 13.500 65 69 385 393 1.507350e+05 1.664519e+04 4.781178e+06 0.00000 1 None 48 6 82 75.990 389.548 0.556 1.658 3.409 3.680 1363.874 1472.634 2.444 4.077 29.412 9.572 76 76 389 390 1.089336e+05 1.780105e+04 2.031728e+05 0.00389 2 None 49 1 83 66.985 391.745 0.733 4.028 3.679 3.667 1472.244 1467.475 3.347 9.270 40.277 21.763 66 69 385 397 1.387490e+05 1.653569e+04 5.515142e+06 0.00000 1 None 48 6 84 61.998 393.938 1.518 0.606 3.829 3.655 1532.268 1462.328 4.316 3.675 51.941 8.628 61 63 392 395 1.097023e+05 1.631278e+04 1.040061e+06 0.00016 2 None 50 1 85 66.701 394.197 0.955 11.695 3.688 3.653 1475.669 1461.719 3.088 10.212 37.166 23.973 66 68 387 397 1.339335e+05 1.710515e+04 3.793920e+06 0.00000 1 None 48 6 86 68.803 399.242 1.156 1.872 3.625 3.623 1450.371 1449.877 3.325 5.536 40.016 12.995 68 69 398 400 1.067483e+05 1.687662e+04 5.548742e+05 0.00037 2 None 51 1 87 67.035 404.958 2.254 0.826 3.678 3.590 1471.641 1436.458 5.837 4.808 70.251 11.287 65 70 403 407 1.342782e+05 1.609394e+04 2.951751e+06 0.00000 1 None 52 1 88 66.294 435.526 2.424 1.588 3.700 3.411 1480.557 1364.699 4.191 3.935 50.442 9.237 66 67 435 436 9.995591e+04 1.715260e+04 3.684558e+05 0.00107 2 None 53 1 89 70.005 436.987 0.772 2.139 3.589 3.402 1435.896 1361.271 2.790 6.323 33.576 14.843 70 70 436 438 9.036993e+04 1.635995e+04 2.597332e+05 0.00401 2 None 54 1 90 76.451 438.059 1.544 0.681 3.395 3.396 1358.326 1358.754 2.913 3.543 35.055 8.318 76 77 437 439 1.064507e+05 1.770232e+04 5.349499e+05 0.00219 2 None 55 1 91 81.759 463.626 0.808 0.582 3.235 3.246 1294.436 1298.735 2.872 3.014 34.564 7.076 81 82 463 464 1.298929e+05 1.751965e+04 4.329910e+05 0.00029 2 None 56 1 92 62.087 488.322 0.659 0.691 3.827 3.101 1531.193 1240.762 2.308 2.758 27.778 6.475 62 62 488 488 8.792261e+04 1.852291e+04 8.530795e+04 0.07403 2 None 57 1