REMARK ROI 2D Peak Detection System, File: ./test.ft2 REMARK Detection Levels: -inf and 3.44589e+06 REMARK Detection: X(+/-1) Y(+/-1) REMARK Interpolation: X(+/-1) Y(+/-1) REMARK Noise: 574315, 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: 43, Max Cluster Size: 7 REMARK ROI Spectral Axis Limits: DATA X_AXIS 13C 1 1026 112.348ppm 52.294ppm DATA Y_AXIS 1H 1 378 5.483ppm 3.271ppm 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 1 251.925 36.892 0.077 0.435 97.647 5.272 9825.307 2109.634 2.095 4.703 12.349 11.040 251 252 35 38 7.161179e+06 4.459059e+05 3.932875e+07 0.00000 1 None 1 1 2 297.137 39.709 0.004 0.017 94.998 5.256 9558.767 2103.020 2.160 3.629 12.734 8.519 296 299 37 43 1.447738e+08 4.576555e+05 1.010960e+09 0.00000 1 None 2 1 3 149.544 47.238 0.114 0.136 103.645 5.212 10428.875 2085.346 2.528 3.020 14.906 7.089 149 150 46 49 1.306863e+07 4.818252e+05 6.794334e+07 0.00000 1 None 3 1 4 9.308 80.829 0.371 0.578 111.862 5.015 11255.615 2006.492 2.932 3.880 17.285 9.108 9 10 80 81 4.071740e+06 4.471322e+05 1.401685e+07 0.00000 1 None 4 1 5 1024.565 113.698 0.217 0.909 52.378 4.822 5270.332 1929.332 2.156 4.385 12.708 10.293 1024 1025 113 114 4.894584e+06 4.985006e+05 1.607717e+07 0.00000 1 None 5 2 6 1024.075 119.945 0.041 0.194 52.407 4.785 5273.222 1914.667 2.174 4.584 12.816 10.762 1022 1025 117 122 1.448771e+07 4.445984e+05 1.383589e+08 0.00000 1 None 5 2 7 225.964 153.988 0.003 0.004 99.168 4.585 9978.353 1834.750 2.268 2.614 13.370 6.136 224 227 152 156 2.125177e+08 4.679285e+05 1.219173e+09 0.00000 1 None 6 2 8 645.532 155.159 0.169 0.125 74.586 4.578 7504.859 1832.001 2.637 2.655 15.545 6.233 645 646 154 156 9.880144e+06 4.869194e+05 4.233963e+07 0.00000 1 None 7 1 9 225.950 157.270 0.003 0.007 99.169 4.566 9978.435 1827.046 2.199 2.936 12.966 6.892 224 227 155 159 2.217196e+08 4.684599e+05 1.439905e+09 0.00000 1 None 6 2 10 1025.549 157.480 0.479 0.842 52.321 4.565 5264.533 1826.552 2.718 3.476 16.023 8.161 1025 1028 157 158 4.524448e+06 5.232828e+05 1.461014e+07 0.00000 1 None 8 1 11 580.982 237.131 0.070 0.199 78.368 4.098 7885.402 1639.572 2.185 3.398 12.883 7.977 580 582 235 239 8.428614e+06 4.505884e+05 6.180942e+07 0.00000 1 None 9 1 12 828.018 239.136 0.112 0.518 63.894 4.086 6429.045 1634.865 2.001 3.953 11.799 9.279 828 828 239 241 4.415384e+06 4.500596e+05 1.259728e+07 0.00002 1 None 10 2 13 571.070 240.326 0.123 0.590 78.948 4.079 7943.836 1632.073 2.272 4.001 13.393 9.392 571 571 239 241 5.323379e+06 4.461821e+05 1.403080e+07 0.00000 1 None 11 1 14 669.197 240.153 0.008 0.022 73.199 4.080 7365.348 1632.479 2.264 3.627 13.344 8.515 668 671 237 243 9.026493e+07 4.533085e+05 9.625636e+08 0.00000 1 None 12 1 15 827.973 240.852 0.129 0.439 63.896 4.076 6429.306 1630.837 2.112 3.560 12.448 8.357 828 828 239 241 4.315232e+06 4.521656e+05 1.259728e+07 0.00003 1 None 10 2 16 474.162 247.632 0.073 1.610 84.626 4.036 8515.141 1614.921 2.084 7.869 12.288 18.473 474 475 246 251 8.190307e+06 4.415711e+05 6.982882e+07 0.00000 1 None 13 1 17 485.004 252.469 0.047 0.662 83.991 4.008 8451.224 1603.565 2.038 5.391 12.014 12.655 484 486 250 255 1.090882e+07 4.481880e+05 9.674592e+07 0.00000 1 None 14 1 18 689.310 257.267 0.006 0.014 72.021 3.979 7246.775 1592.301 2.310 3.280 13.618 7.699 688 691 255 259 1.543098e+08 4.717429e+05 1.044016e+09 0.00000 1 None 15 1 19 1023.744 256.487 0.146 1.254 52.426 3.984 5275.173 1594.132 1.977 4.484 11.655 10.526 1024 1024 256 257 4.704512e+06 4.838362e+05 8.567602e+06 0.00000 1 None 16 1 20 629.683 266.891 0.243 0.090 75.514 3.923 7598.293 1569.710 2.814 1.900 16.588 4.460 629 630 267 267 6.423409e+06 4.952111e+05 1.164947e+07 0.00000 1 None 17 1 21 698.913 267.230 0.002 0.006 71.458 3.921 7190.162 1568.913 2.146 3.520 12.653 8.262 697 700 265 269 3.293668e+08 4.556008e+05 2.149561e+09 0.00000 1 None 18 1 22 1023.650 267.289 0.138 0.897 52.432 3.921 5275.727 1568.775 1.954 4.759 11.521 11.171 1023 1024 266 269 5.289516e+06 4.706024e+05 3.104971e+07 0.00000 1 None 19 1 23 695.069 268.240 0.141 0.279 71.683 3.915 7212.822 1566.542 2.228 2.723 13.138 6.393 695 695 268 268 4.632356e+06 4.591460e+05 4.551768e+06 0.00002 1 None 20 1 24 691.747 277.093 0.019 0.028 71.878 3.863 7232.409 1545.761 2.299 2.969 13.555 6.970 690 693 275 279 4.614642e+07 4.663478e+05 2.872842e+08 0.00000 1 None 21 3 25 705.747 280.922 0.030 0.067 71.058 3.841 7149.875 1536.771 2.225 3.536 13.118 8.301 705 707 279 284 2.692941e+07 4.606226e+05 1.844371e+08 0.00000 1 None 22 3 26 691.745 281.834 0.011 0.020 71.878 3.835 7232.418 1534.631 2.290 3.091 13.500 7.257 690 693 280 284 7.893515e+07 4.672144e+05 5.085536e+08 0.00000 1 None 21 3 27 691.749 286.887 0.025 0.082 71.878 3.806 7232.394 1522.770 2.227 4.180 13.130 9.813 690 693 284 289 3.134770e+07 4.545026e+05 2.791887e+08 0.00000 1 None 21 3 28 705.778 286.509 0.011 0.052 71.056 3.808 7149.691 1523.655 2.177 3.684 12.836 8.648 704 707 284 290 7.119850e+07 4.723607e+05 5.849462e+08 0.00000 1 None 22 3 29 666.796 288.143 0.125 0.783 73.340 3.798 7379.500 1519.821 2.305 5.733 13.587 13.459 666 667 286 290 6.175752e+06 4.402406e+05 4.590294e+07 0.00000 1 None 23 1 30 831.619 289.163 0.098 0.096 63.683 3.792 6407.815 1517.427 2.512 2.758 14.811 6.474 831 832 288 291 1.339642e+07 4.782705e+05 6.962791e+07 0.00000 1 None 24 7 31 705.757 291.143 0.017 0.039 71.057 3.781 7149.811 1512.777 2.232 3.453 13.159 8.106 704 707 289 293 4.695037e+07 4.606284e+05 3.391976e+08 0.00000 1 None 22 3 32 646.929 292.305 0.119 0.340 74.504 3.774 7496.622 1510.051 2.214 3.085 13.050 7.242 647 647 292 294 5.286660e+06 4.482377e+05 1.486956e+07 0.00000 1 None 25 2 33 494.558 293.885 0.184 0.442 83.431 3.765 8394.904 1506.342 2.355 4.259 13.884 9.999 494 495 292 295 6.529050e+06 4.633729e+05 4.085164e+07 0.00000 1 None 26 1 34 831.478 294.480 0.012 0.048 63.691 3.761 6408.644 1504.945 2.397 4.268 14.133 10.019 830 833 291 297 1.121183e+08 4.856393e+05 1.875397e+09 0.00000 1 None 24 7 35 586.279 294.849 0.277 0.430 78.057 3.759 7854.177 1504.079 2.457 3.202 14.487 7.516 586 586 295 295 3.821208e+06 4.704664e+05 3.707422e+06 0.00006 1 None 27 1 36 592.972 294.904 0.142 0.251 77.665 3.759 7814.718 1503.949 2.318 2.907 13.663 6.825 593 593 295 296 4.755097e+06 4.545452e+05 8.601575e+06 0.00000 1 None 28 1 37 646.961 294.502 0.086 0.991 74.502 3.761 7496.438 1504.893 1.786 4.267 10.532 10.016 647 647 292 295 4.839061e+06 4.595490e+05 1.957253e+07 0.00001 1 None 25 2 38 589.424 296.957 0.020 0.012 77.873 3.747 7835.636 1499.131 2.580 2.406 15.207 5.648 588 591 295 298 7.426169e+07 4.882073e+05 3.806212e+08 0.00000 1 None 29 1 39 831.412 297.381 0.004 0.008 63.695 3.744 6409.035 1498.134 2.401 3.333 14.157 7.823 830 833 295 299 3.235838e+08 4.853582e+05 2.356615e+09 0.00000 1 None 24 7 40 71.948 298.247 0.271 0.760 108.192 3.739 10886.332 1496.102 3.040 4.336 17.922 10.179 72 72 298 299 4.153810e+06 4.345638e+05 8.129842e+06 0.00000 1 None 30 1 41 827.998 299.818 0.003 0.016 63.895 3.730 6429.160 1492.413 2.111 4.124 12.448 9.680 827 829 297 303 1.603845e+08 4.444482e+05 1.473415e+09 0.00000 1 None 24 7 42 669.254 300.534 0.053 0.105 73.196 3.726 7365.008 1490.733 2.347 2.768 13.838 6.497 668 670 300 302 1.967299e+07 4.973102e+05 8.937254e+07 0.00000 1 None 31 1 43 827.987 301.643 0.004 0.046 63.896 3.719 6429.223 1488.129 2.057 5.376 12.125 12.621 827 829 298 306 1.293622e+08 4.422763e+05 1.568321e+09 0.00000 1 None 24 7 44 831.423 302.759 0.022 0.028 63.694 3.713 6408.968 1485.509 2.477 3.006 14.602 7.056 829 833 301 305 6.376144e+07 4.823668e+05 6.443318e+08 0.00000 1 None 24 7 45 589.536 303.966 0.009 0.079 77.866 3.705 7834.977 1482.677 2.357 8.690 13.898 20.399 588 591 301 310 1.460652e+08 4.680804e+05 2.065619e+09 0.00000 1 None 32 1 46 827.931 307.398 0.067 0.362 63.899 3.685 6429.554 1474.619 2.272 4.017 13.397 9.430 827 829 304 309 9.826759e+06 4.466060e+05 1.698318e+08 0.00000 1 None 24 7 47 806.112 307.754 0.166 0.398 65.177 3.683 6558.188 1473.784 2.507 3.402 14.778 7.987 806 807 307 309 5.051744e+06 4.504916e+05 2.192656e+07 0.00000 1 None 33 1 48 801.822 309.673 0.119 0.466 65.429 3.672 6583.480 1469.278 2.303 3.878 13.576 9.103 801 802 308 313 6.420908e+06 4.474732e+05 5.711758e+07 0.00000 1 None 34 2 49 629.731 312.838 0.010 0.017 75.511 3.653 7598.013 1461.848 2.458 3.243 14.492 7.614 628 632 311 315 9.807973e+07 4.593614e+05 8.008696e+08 0.00000 1 None 35 2 50 698.894 312.699 0.169 0.156 71.459 3.654 7190.274 1462.176 2.512 2.077 14.807 4.877 699 699 312 313 5.693210e+06 5.029866e+05 9.863438e+06 0.00000 1 None 36 1 51 801.733 313.104 0.143 0.204 65.434 3.652 6584.002 1461.224 2.390 3.038 14.091 7.132 801 802 311 314 6.697782e+06 4.611390e+05 3.689969e+07 0.00000 1 None 34 2 52 645.516 314.748 0.049 0.093 74.587 3.642 7504.956 1457.364 2.455 3.686 14.471 8.654 644 647 313 317 2.989289e+07 4.844330e+05 2.286426e+08 0.00000 1 None 37 1 53 801.694 316.122 0.209 0.499 65.436 3.634 6584.231 1454.141 2.301 3.838 13.563 9.009 801 802 316 317 4.512655e+06 4.612774e+05 1.512656e+07 0.00000 1 None 38 1 54 629.849 317.311 0.007 0.020 75.504 3.627 7597.318 1451.348 2.354 3.416 13.878 8.020 628 632 315 319 1.157561e+08 4.574886e+05 9.360498e+08 0.00000 1 None 35 2 55 698.794 317.121 0.226 0.114 71.465 3.628 7190.864 1451.795 2.800 2.029 16.506 4.764 698 699 317 317 5.741446e+06 4.943833e+05 9.642386e+06 0.00000 1 None 39 1 56 645.534 337.989 0.027 0.013 74.585 3.506 7504.845 1402.806 2.769 2.436 16.326 5.718 644 648 336 340 6.769458e+07 4.823681e+05 4.789159e+08 0.00000 1 None 40 3 57 225.972 339.277 0.105 0.159 99.167 3.498 9978.305 1399.783 2.310 2.394 13.618 5.621 225 227 339 340 6.986976e+06 4.866084e+05 2.497052e+07 0.00000 1 None 41 1 58 629.843 338.833 0.044 0.075 75.505 3.501 7597.349 1400.825 2.229 2.788 13.142 6.546 629 631 338 341 1.589180e+07 4.505154e+05 1.080881e+08 0.00000 1 None 42 3 59 629.646 341.665 0.120 0.115 75.516 3.484 7598.516 1394.177 2.997 2.866 17.665 6.727 628 631 340 344 1.477112e+07 4.571145e+05 1.478234e+08 0.00000 1 None 42 3 60 645.364 341.821 0.013 0.011 74.595 3.483 7505.850 1393.812 2.633 2.689 15.525 6.312 643 647 340 344 1.103201e+08 4.736925e+05 7.878588e+08 0.00000 1 None 40 3 61 225.919 344.098 0.111 0.144 99.171 3.470 9978.617 1388.465 2.333 2.536 13.753 5.954 225 226 344 345 6.617304e+06 4.738569e+05 1.774992e+07 0.00000 1 None 43 1 62 629.700 344.308 0.077 0.275 75.513 3.469 7598.196 1387.974 2.285 4.048 13.473 9.502 629 630 341 345 1.301478e+07 4.942103e+05 1.089945e+08 0.00000 1 None 42 3 63 645.596 345.770 0.025 0.021 74.582 3.460 7504.481 1384.541 2.660 2.594 15.683 6.089 644 647 344 348 6.177563e+07 4.833343e+05 4.115028e+08 0.00000 1 None 40 3