REMARK ROI 2D Peak Detection System, File: ./test.ft2 REMARK Detection Levels: -4.79809e+08 and 479809 REMARK Detection: X(+/-1) Y(+/-1) REMARK Interpolation: X(+/-1) Y(+/-1) REMARK Noise: 9762.46, 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: 87, Good Peaks: 84, Questionable Peaks: 3 REMARK Clusters: 42, Max Cluster Size: 20 REMARK ROI Spectral Axis Limits: DATA X_AXIS 1H 1 98 5.738ppm 3.237ppm DATA Y_AXIS 1H 1 397 5.671ppm 3.348ppm 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 13.025 43.761 0.002 0.004 5.428 5.420 2171.849 2168.867 2.148 3.769 22.160 8.849 11 14 41 46 1.078304e+07 7.658548e+03 7.862993e+07 0.00000 1 None 1 1 2 78.039 43.733 0.021 0.035 3.752 5.421 1501.174 2168.933 2.387 3.686 24.628 8.653 77 79 42 45 1.166078e+06 7.605654e+03 7.984542e+06 0.00000 1 None 2 1 3 85.448 43.799 0.030 0.018 3.561 5.420 1424.750 2168.777 2.744 3.398 28.307 7.977 84 87 42 45 1.924448e+06 7.946890e+03 1.543962e+07 0.00000 1 None 3 1 4 73.144 117.487 0.017 0.025 3.878 4.988 1551.675 1995.795 2.724 3.517 28.104 8.255 72 75 116 119 2.150046e+06 7.819511e+03 1.919301e+07 0.00000 1 None 4 1 5 29.939 117.614 0.002 0.004 4.992 4.987 1997.369 1995.498 2.138 3.715 22.056 8.720 28 31 115 120 1.164408e+07 7.784858e+03 8.429425e+07 0.00000 1 None 5 1 6 37.051 148.937 0.000 0.000 4.808 4.803 1923.999 1921.966 2.295 2.955 23.673 6.938 35 39 147 151 9.136159e+07 7.762693e+03 5.754300e+08 0.00000 1 None 6 1 7 59.904 246.881 0.017 0.011 4.219 4.229 1688.258 1692.042 2.427 2.654 25.038 6.230 59 61 246 249 1.535762e+06 7.838256e+03 9.106591e+06 0.00000 1 None 7 2 8 66.122 246.880 0.019 0.010 4.059 4.229 1624.116 1692.043 2.615 2.497 26.972 5.862 65 67 246 249 1.625621e+06 7.786070e+03 9.754584e+06 0.00000 1 None 8 2 9 72.845 246.833 0.019 0.006 3.886 4.229 1554.754 1692.155 3.210 2.462 33.117 5.780 71 75 246 249 2.648094e+06 7.677174e+03 2.351215e+07 0.00000 1 None 9 4 10 75.773 246.815 0.038 0.008 3.810 4.229 1524.549 1692.196 3.648 2.422 37.630 5.686 73 78 246 249 1.866538e+06 7.632990e+03 2.595408e+07 0.00000 1 None 9 4 11 59.922 250.503 0.013 0.023 4.219 4.207 1688.069 1683.539 2.279 3.104 23.515 7.288 59 61 249 252 1.904326e+06 8.237690e+03 1.059615e+07 0.00000 1 None 7 2 12 72.839 250.476 0.016 0.011 3.886 4.208 1554.818 1683.601 3.022 2.804 31.170 6.581 71 75 248 252 3.032109e+06 8.077292e+03 3.030143e+07 0.00000 1 None 9 4 13 75.787 250.516 0.031 0.016 3.810 4.207 1524.412 1683.509 3.400 2.782 35.074 6.532 74 78 249 252 2.174139e+06 8.122531e+03 2.123173e+07 0.00000 1 None 9 4 14 66.145 250.570 0.014 0.013 4.058 4.207 1623.870 1683.381 2.557 2.707 26.381 6.355 65 68 249 252 2.346399e+06 8.076161e+03 1.437404e+07 0.00000 1 None 8 2 15 59.916 272.583 0.027 0.041 4.219 4.078 1688.133 1631.707 2.257 3.027 23.281 7.106 59 60 272 273 8.923578e+05 7.893931e+03 2.774700e+06 0.00000 1 None 10 1 16 66.248 273.110 0.016 0.019 4.056 4.075 1622.811 1630.469 2.574 4.200 26.550 9.860 65 68 271 276 2.241612e+06 7.582988e+03 4.853148e+07 0.00000 1 None 11 4 17 72.717 272.617 0.114 0.043 3.889 4.078 1556.073 1631.627 3.418 2.695 35.261 6.327 72 73 272 273 6.305865e+05 7.788257e+03 2.217044e+06 0.00000 1 None 12 1 18 76.162 272.611 0.132 0.046 3.800 4.078 1520.538 1631.641 4.024 2.767 41.515 6.495 75 77 272 273 6.199757e+05 7.727443e+03 3.120023e+06 0.00000 1 None 13 1 19 59.948 276.200 0.013 0.011 4.218 4.057 1687.804 1623.216 2.310 2.650 23.830 6.220 59 61 275 277 1.799732e+06 8.000546e+03 8.262513e+06 0.00000 1 None 14 1 20 72.783 276.227 0.058 0.015 3.887 4.057 1555.393 1623.151 3.554 2.443 36.659 5.735 72 76 275 277 1.153178e+06 7.717929e+03 1.185528e+07 0.00000 1 None 15 5 21 76.356 276.230 0.109 0.013 3.795 4.057 1518.540 1623.145 4.659 2.432 48.058 5.710 73 79 275 277 1.353929e+06 7.748229e+03 1.634968e+07 0.00000 1 None 15 5 22 66.630 276.535 0.006 0.010 4.046 4.055 1618.868 1622.428 2.657 4.251 27.409 9.980 65 69 274 280 7.772060e+06 7.853941e+03 1.036082e+08 0.00000 1 None 11 4 23 80.143 277.171 0.120 0.025 3.697 4.051 1479.469 1620.936 4.813 2.973 49.649 6.980 77 81 276 279 8.820468e+05 7.434271e+03 1.429943e+07 0.00000 1 None 15 5 24 85.635 277.071 0.020 0.015 3.556 4.052 1422.820 1621.170 2.825 4.104 29.145 9.634 84 87 274 280 2.665778e+06 7.658492e+03 3.811507e+07 0.00000 1 None 16 2 25 59.963 279.928 0.027 0.017 4.218 4.035 1687.646 1614.464 2.362 2.487 24.364 5.839 59 60 279 280 8.955300e+05 7.899428e+03 2.364014e+06 0.00000 1 None 17 1 26 66.725 279.980 0.006 0.009 4.043 4.035 1617.891 1614.341 2.577 4.942 26.584 11.601 65 68 276 284 6.171322e+06 7.510745e+03 1.249925e+08 0.00000 1 None 11 4 27 72.962 279.944 0.104 0.021 3.883 4.035 1553.551 1614.427 3.678 2.249 37.938 5.280 73 73 280 280 5.429478e+05 7.513405e+03 5.421548e+05 0.00000 1 None 18 1 28 77.765 279.905 0.481 0.019 3.759 4.035 1503.999 1614.517 6.039 2.592 62.295 6.084 75 81 278 281 8.708867e+05 7.631787e+03 1.711671e+07 0.00000 1 None 15 5 29 85.636 280.144 0.021 0.050 3.556 4.034 1422.801 1613.956 2.774 6.710 28.615 15.751 84 87 275 283 2.328060e+06 7.591683e+03 4.931086e+07 0.00000 1 None 16 2 30 80.619 281.598 0.048 0.069 3.685 4.025 1474.560 1610.544 2.687 4.227 27.720 9.923 79 81 279 283 1.053795e+06 7.880821e+03 1.044621e+07 0.00000 1 None 15 5 31 68.464 286.311 0.004 0.003 3.999 3.997 1599.955 1599.480 2.515 3.285 25.949 7.713 67 70 284 288 1.186497e+07 8.272917e+03 8.841542e+07 0.00000 1 None 11 4 32 74.591 286.814 0.056 0.015 3.841 3.994 1536.746 1598.298 3.451 2.852 35.601 6.695 73 76 285 288 1.525117e+06 7.694041e+03 1.390991e+07 0.00000 1 None 19 1 33 78.385 292.437 0.012 0.020 3.743 3.961 1497.604 1585.100 2.380 3.910 24.551 9.180 77 80 290 295 3.469791e+06 8.026860e+03 3.793957e+07 0.00000 1 None 20 20 34 78.394 293.943 0.010 0.028 3.743 3.953 1497.511 1581.564 2.327 6.329 24.003 14.858 77 80 290 299 3.615569e+06 7.865015e+03 6.568701e+07 0.00000 1 None 20 20 35 70.305 294.666 0.006 0.006 3.951 3.948 1580.959 1579.866 2.498 3.064 25.766 7.192 69 72 293 297 6.092059e+06 8.004118e+03 4.432045e+07 0.00000 1 None 21 1 36 78.432 296.952 0.011 0.006 3.742 3.935 1497.125 1574.500 2.527 3.237 26.064 7.598 77 80 295 299 4.236823e+06 8.062088e+03 3.532781e+07 0.00000 1 None 20 20 37 59.884 301.224 0.022 0.047 4.220 3.910 1688.461 1564.470 2.220 4.082 22.902 9.584 59 60 300 304 1.001197e+06 7.590262e+03 9.539591e+06 0.00000 1 None 22 3 38 29.933 302.379 0.023 0.046 4.992 3.903 1997.428 1561.759 2.053 3.236 21.183 7.596 30 30 302 303 8.569241e+05 7.971286e+03 1.611991e+06 0.00000 1 None 23 1 39 72.924 302.603 0.008 0.015 3.884 3.902 1553.945 1561.235 2.792 4.100 28.799 9.626 71 75 300 306 4.107179e+06 7.649557e+03 7.012896e+07 0.00000 1 None 20 20 40 59.905 304.330 0.012 0.024 4.219 3.892 1688.240 1557.179 2.264 3.625 23.358 8.509 59 61 301 307 1.907368e+06 7.727425e+03 1.839405e+07 0.00000 1 None 22 3 41 66.149 304.246 0.030 0.043 4.058 3.892 1623.828 1557.377 2.506 3.795 25.847 8.909 65 67 301 305 1.003003e+06 7.706895e+03 8.434425e+06 0.00000 1 None 24 3 42 29.917 306.998 0.011 0.013 4.992 3.876 1997.593 1550.917 2.109 3.072 21.761 7.211 29 31 306 308 1.722254e+06 7.779840e+03 8.097824e+06 0.00000 1 None 25 1 43 68.347 306.660 0.074 0.092 4.002 3.878 1601.158 1551.710 3.193 4.815 32.943 11.303 67 69 305 308 9.037308e+05 7.783644e+03 7.830139e+06 0.00000 1 None 24 3 44 73.102 307.017 0.006 0.004 3.879 3.876 1552.110 1550.872 3.046 3.191 31.425 7.490 71 75 305 309 6.437230e+06 7.537642e+03 7.159950e+07 0.00000 1 None 20 20 45 59.920 307.902 0.022 0.026 4.219 3.871 1688.092 1548.794 2.302 3.418 23.750 8.025 59 61 306 309 1.054898e+06 7.625026e+03 7.930036e+06 0.00000 1 None 22 3 46 66.581 307.933 0.207 0.037 4.047 3.871 1619.371 1548.722 3.584 2.887 36.968 6.777 66 69 308 308 5.752003e+05 7.942958e+03 2.380734e+06 0.00000 1 None 24 3 47 29.926 314.010 0.016 0.023 4.992 3.835 1997.510 1534.456 2.075 3.421 21.403 8.032 29 30 313 315 1.160851e+06 7.685223e+03 4.538296e+06 0.00000 1 None 26 1 48 68.544 314.127 0.041 0.022 3.997 3.834 1599.129 1534.182 2.435 2.969 25.117 6.971 68 69 313 315 1.131075e+06 8.263124e+03 5.043032e+06 0.00000 1 None 27 3 49 74.966 314.279 0.008 0.025 3.831 3.833 1532.875 1533.826 3.119 6.409 32.180 15.046 73 77 309 319 4.997094e+06 7.399708e+03 1.485660e+08 0.00000 1 None 20 20 50 59.946 316.825 0.016 0.019 4.218 3.818 1687.821 1527.847 2.297 3.163 23.692 7.426 59 61 315 318 1.394382e+06 7.716691e+03 8.320768e+06 0.00000 1 None 28 1 51 66.209 316.854 0.046 0.035 4.057 3.818 1623.211 1527.779 2.640 3.295 27.236 7.734 66 67 316 318 8.026407e+05 7.831167e+03 3.553332e+06 0.00000 1 None 27 3 52 68.200 318.138 0.192 0.051 4.005 3.811 1602.673 1524.766 4.857 3.562 50.108 8.362 66 69 318 319 6.160921e+05 7.532206e+03 3.921374e+06 0.00000 1 None 27 3 53 75.265 317.312 0.008 0.020 3.823 3.816 1529.794 1526.705 2.895 4.591 29.865 10.777 73 77 314 320 6.130281e+06 7.944858e+03 1.143339e+08 0.00000 1 None 20 20 54 59.937 321.159 0.033 0.031 4.218 3.793 1687.913 1517.674 2.320 2.917 23.936 6.847 60 60 321 322 7.193567e+05 7.816361e+03 1.263868e+06 0.00000 1 None 29 1 55 66.188 321.330 0.042 0.042 4.057 3.792 1623.427 1517.272 2.516 3.069 25.957 7.205 66 67 321 323 8.028014e+05 8.007791e+03 3.496028e+06 0.00000 1 None 20 20 56 75.930 320.597 0.016 0.016 3.806 3.796 1522.935 1518.994 3.446 3.649 35.552 8.566 74 78 318 324 3.202637e+06 7.580888e+03 7.193670e+07 0.00000 1 None 20 20 57 59.941 324.458 0.041 0.177 4.218 3.774 1687.871 1509.928 2.187 4.672 22.562 10.967 60 60 324 325 5.183774e+05 7.710746e+03 9.924840e+05 0.00000 1 None 30 1 58 66.372 324.089 0.071 0.074 4.052 3.776 1621.527 1510.795 2.523 4.206 26.027 9.874 66 67 321 327 6.027926e+05 7.810096e+03 9.006807e+06 0.00000 1 None 20 20 59 77.206 324.033 0.027 0.013 3.773 3.776 1509.765 1510.927 3.553 3.744 36.652 8.789 74 79 321 327 2.384796e+06 7.562103e+03 6.033543e+07 0.00000 1 None 20 20 60 85.973 323.662 0.022 0.015 3.547 3.778 1419.326 1511.798 2.846 2.716 29.357 6.376 85 87 322 326 1.659260e+06 7.832065e+03 1.288444e+07 0.00000 1 None 31 3 61 72.782 324.706 0.049 0.023 3.887 3.772 1555.408 1509.347 3.195 2.845 32.956 6.678 72 75 323 326 1.070238e+06 7.376644e+03 1.116212e+07 0.00000 1 None 20 20 62 13.000 327.259 0.017 0.018 5.428 3.757 2172.114 1503.355 1.962 2.413 20.244 5.665 13 13 327 328 1.002118e+06 8.068114e+03 1.820905e+06 0.00000 1 None 32 1 63 66.796 327.553 0.025 0.041 4.042 3.755 1617.154 1502.665 2.446 3.546 25.237 8.324 66 69 326 329 1.335316e+06 8.061324e+03 1.264930e+07 0.00000 1 None 20 20 64 85.950 327.653 0.010 0.007 3.548 3.755 1419.571 1502.430 2.798 2.772 28.865 6.508 84 88 326 330 3.715642e+06 7.864083e+03 2.927635e+07 0.00000 3 None 31 3 65 70.369 329.108 0.008 0.004 3.949 3.746 1580.297 1499.012 2.637 2.981 27.200 6.998 69 72 327 331 5.738828e+06 7.899945e+03 4.705008e+07 0.00000 1 None 20 20 66 78.381 329.163 0.003 0.002 3.743 3.746 1497.648 1498.885 2.536 3.423 26.163 8.037 76 80 327 331 1.592136e+07 7.891312e+03 1.435789e+08 0.00000 1 None 20 20 67 66.983 332.025 0.049 0.019 4.037 3.729 1615.224 1492.165 3.120 2.631 32.189 6.177 66 69 331 333 8.211265e+05 7.569730e+03 8.466726e+06 0.00000 1 None 20 20 68 85.918 331.780 0.015 0.007 3.549 3.731 1419.902 1492.740 2.965 2.568 30.589 6.029 84 88 330 333 2.540745e+06 7.733912e+03 1.931295e+07 0.00000 1 None 31 3 69 66.891 337.709 0.024 0.030 4.039 3.696 1616.172 1478.822 2.484 3.335 25.623 7.830 66 68 336 339 1.170608e+06 7.661771e+03 7.919256e+06 0.00000 1 None 33 1 70 80.860 337.912 0.006 0.006 3.679 3.695 1472.071 1478.345 2.506 3.623 25.848 8.505 79 82 335 341 4.780246e+06 7.527291e+03 6.565520e+07 0.00000 1 None 20 20 71 86.016 338.218 0.057 0.028 3.546 3.693 1418.884 1477.627 2.949 2.558 30.424 6.005 86 86 338 339 6.546901e+05 7.719360e+03 1.146949e+06 0.00000 1 None 34 1 72 66.992 343.416 0.029 0.110 4.037 3.662 1615.137 1465.426 1.955 3.996 20.168 9.381 67 67 343 343 5.825153e+05 7.919620e+03 5.698781e+05 0.00000 1 None 35 1 73 81.300 342.840 0.001 0.001 3.668 3.666 1467.531 1466.778 2.469 2.739 25.468 6.429 80 83 341 345 3.664894e+07 8.026961e+03 2.256877e+08 0.00000 1 None 20 20 74 76.533 344.167 0.454 0.014 3.791 3.658 1516.707 1463.662 5.114 1.676 52.754 3.933 76 81 344 344 5.346076e+05 8.075139e+03 2.888070e+07 0.00000 3 None 20 20 75 85.010 343.959 0.031 0.007 3.572 3.659 1429.261 1464.151 3.108 2.072 32.059 4.864 83 87 343 345 1.252168e+06 7.310633e+03 1.946052e+07 0.00000 3 None 20 20 76 13.026 357.930 0.016 0.040 5.428 3.577 2171.847 1431.354 1.998 4.238 20.611 9.948 13 14 357 361 1.036186e+06 7.580712e+03 6.329500e+06 0.00000 1 None 36 2 77 66.717 358.164 0.013 0.015 4.044 3.576 1617.971 1430.803 2.494 4.008 25.724 9.408 65 68 356 361 2.790193e+06 7.664124e+03 3.344616e+07 0.00000 1 None 37 2 78 85.628 358.310 0.021 0.026 3.556 3.575 1422.885 1430.461 2.805 4.337 28.938 10.182 84 87 356 361 2.515191e+06 7.713831e+03 3.456213e+07 0.00000 1 None 38 3 79 78.062 360.964 0.016 0.020 3.751 3.559 1500.940 1424.232 2.621 3.989 27.033 9.364 77 80 358 364 1.744898e+06 7.451174e+03 2.717516e+07 0.00000 1 None 39 2 80 85.670 361.079 0.017 0.025 3.555 3.559 1422.459 1423.961 2.772 5.350 28.594 12.558 84 87 357 365 2.690242e+06 7.570526e+03 5.796118e+07 0.00000 1 None 38 3 81 13.036 361.962 0.017 0.072 5.428 3.554 2171.745 1421.888 1.922 5.366 19.826 12.598 13 13 358 364 8.931897e+05 7.468359e+03 5.654518e+06 0.00000 1 None 36 2 82 66.738 361.860 0.011 0.029 4.043 3.554 1617.761 1422.128 2.436 5.769 25.131 13.542 65 68 358 366 2.904865e+06 7.531323e+03 5.323692e+07 0.00000 1 None 37 2 83 85.760 364.030 0.016 0.023 3.553 3.541 1421.531 1417.034 2.750 5.082 28.368 11.930 84 87 360 366 2.514892e+06 7.504063e+03 4.274067e+07 0.00000 1 None 38 3 84 78.086 364.599 0.016 0.018 3.750 3.538 1500.688 1415.698 2.696 3.147 27.810 7.387 77 80 363 366 2.093612e+06 7.797628e+03 1.774106e+07 0.00000 1 None 39 2 85 66.797 368.881 0.043 0.021 4.042 3.513 1617.146 1405.645 2.590 2.616 26.722 6.141 66 67 368 369 8.130652e+05 7.840111e+03 2.475864e+06 0.00000 1 None 40 1 86 78.104 368.816 0.040 0.021 3.750 3.513 1500.501 1405.799 2.797 2.595 28.853 6.092 77 79 368 369 8.832931e+05 7.758473e+03 3.659776e+06 0.00000 1 None 41 1 87 85.893 368.811 0.049 0.022 3.549 3.513 1420.156 1405.811 3.024 2.637 31.197 6.190 85 87 368 369 8.489802e+05 7.679319e+03 3.693547e+06 0.00000 1 None 42 1