REMARK ROI 2D Peak Detection System, File: ./test.ft2 REMARK Detection Levels: -1.88693e+08 and 188692 REMARK Detection: X(+/-1) Y(+/-1) REMARK Interpolation: X(+/-1) Y(+/-1) REMARK Noise: 9343.64, 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: 97, Good Peaks: 97, Questionable Peaks: 0 REMARK Clusters: 56, Max Cluster Size: 10 REMARK ROI Spectral Axis Limits: DATA X_AXIS 1H 1 118 5.603ppm 2.586ppm DATA Y_AXIS 1H 1 514 5.609ppm 2.600ppm 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 7.857 33.923 0.003 0.005 5.426 5.416 2171.136 2167.220 2.101 3.532 21.678 8.291 7 9 32 37 5.856432e+06 7.418603e+03 3.734536e+07 0.00000 1 None 1 1 2 68.954 33.987 0.042 0.028 3.851 5.416 1540.865 2167.070 2.826 3.152 29.153 7.399 67 70 32 36 7.559451e+05 7.174168e+03 6.220087e+06 0.00000 1 None 2 1 3 83.533 34.021 0.197 0.084 3.475 5.416 1390.463 2166.992 2.621 3.008 27.034 7.060 83 84 34 34 2.632483e+05 7.731131e+03 4.878519e+05 0.00000 1 None 3 1 4 93.978 33.970 0.026 0.028 3.206 5.416 1282.722 2167.111 2.384 3.374 24.594 7.920 93 95 32 36 8.659112e+05 7.268869e+03 6.019821e+06 0.00000 1 None 4 1 5 34.136 129.499 0.059 0.426 4.749 4.856 1900.041 1942.857 1.641 4.518 16.930 10.606 34 34 129 130 2.117368e+05 7.548815e+03 4.066216e+05 0.00000 1 None 5 1 6 29.936 131.918 0.048 0.028 4.857 4.841 1943.372 1937.176 1.869 1.940 19.282 4.554 30 30 132 132 4.190227e+05 1.015111e+04 4.165598e+05 0.00000 1 None 6 1 7 78.706 132.047 0.046 0.012 3.599 4.841 1440.264 1936.874 2.921 2.375 30.133 5.576 77 81 131 134 1.083103e+06 7.533937e+03 8.149630e+06 0.00000 1 None 7 4 8 83.151 132.076 0.079 0.014 3.485 4.840 1394.407 1936.806 3.770 2.285 38.887 5.364 80 85 131 134 8.023526e+05 7.256834e+03 8.528235e+06 0.00000 1 None 7 4 9 107.106 131.997 0.053 0.021 2.867 4.841 1147.291 1936.992 2.710 2.404 27.961 5.643 106 108 131 134 5.996919e+05 7.470692e+03 3.521600e+06 0.00000 1 None 8 2 10 34.131 133.522 0.044 0.213 4.749 4.832 1900.095 1933.411 1.650 3.700 17.024 8.685 34 34 133 135 3.036947e+05 7.974796e+03 8.728701e+05 0.00000 1 None 9 3 11 107.041 135.290 0.054 0.047 2.869 4.822 1147.964 1929.261 2.558 2.810 26.387 6.597 106 108 133 137 5.303124e+05 7.704440e+03 4.089671e+06 0.00000 1 None 8 2 12 72.688 135.733 0.412 0.055 3.755 4.819 1502.344 1928.222 3.534 1.875 36.456 4.402 73 73 136 136 2.040660e+05 8.129422e+03 1.930757e+05 0.00000 1 None 10 1 13 78.696 135.537 0.040 0.022 3.600 4.820 1440.361 1928.681 2.652 2.463 27.360 5.782 77 81 134 137 1.164065e+06 7.948008e+03 7.629043e+06 0.00000 1 None 7 4 14 83.653 135.623 0.092 0.019 3.472 4.820 1389.230 1928.479 3.474 2.215 35.842 5.199 81 85 134 137 9.192849e+05 7.813329e+03 6.949516e+06 0.00000 1 None 7 4 15 69.743 137.000 0.045 0.182 3.831 4.812 1532.719 1925.247 1.761 3.522 18.167 8.267 69 70 135 137 6.142132e+05 9.056290e+03 2.685959e+06 0.00000 1 None 11 1 16 18.853 137.787 0.568 0.028 5.143 4.807 2057.694 1923.400 4.192 1.888 43.239 4.433 18 22 137 138 4.495556e+05 9.042817e+03 5.191397e+06 0.00000 1 None 9 3 17 31.574 137.681 0.001 0.000 4.815 4.808 1926.466 1923.649 2.374 2.752 24.493 6.460 30 33 136 140 8.608679e+07 8.159912e+03 4.983937e+08 0.00000 1 None 9 3 18 66.899 140.142 0.111 0.066 3.904 4.793 1562.057 1917.871 1.940 1.996 20.017 4.686 67 67 140 140 1.953918e+05 9.839194e+03 1.924032e+05 0.00000 1 None 12 1 19 66.760 289.284 0.017 0.011 3.907 3.918 1563.498 1567.759 2.534 2.625 26.144 6.163 65 68 288 291 2.026685e+06 7.689331e+03 1.261321e+07 0.00000 1 None 13 10 20 82.995 289.302 0.168 0.044 3.489 3.918 1396.014 1567.717 3.983 2.380 41.085 5.587 82 85 289 290 3.990601e+05 7.463026e+03 2.309529e+06 0.00000 1 None 14 1 21 67.166 294.469 0.012 0.013 3.897 3.888 1559.304 1555.589 2.862 3.223 29.527 7.567 65 69 292 296 3.394893e+06 7.606152e+03 3.284782e+07 0.00000 1 None 13 10 22 72.818 294.864 0.030 0.013 3.751 3.885 1501.001 1554.659 2.596 2.402 26.781 5.639 71 74 294 296 1.081961e+06 7.403769e+03 6.444175e+06 0.00000 1 None 13 10 23 83.326 294.743 0.069 0.034 3.480 3.886 1392.607 1554.943 3.250 3.292 33.527 7.728 81 85 293 297 9.092551e+05 7.268220e+03 1.059936e+07 0.00000 1 None 15 4 24 68.899 298.215 0.008 0.005 3.852 3.866 1541.433 1546.794 3.083 2.935 31.804 6.891 67 71 296 300 5.148098e+06 7.376675e+03 5.013231e+07 0.00000 1 None 13 10 25 83.561 298.051 0.047 0.017 3.474 3.867 1390.177 1547.179 2.763 2.898 28.501 6.804 82 85 296 300 1.198151e+06 7.727264e+03 1.040363e+07 0.00000 1 None 15 4 26 93.994 298.125 0.016 0.021 3.205 3.866 1282.556 1547.005 2.386 3.576 24.613 8.394 93 95 295 301 1.405987e+06 7.267448e+03 1.419310e+07 0.00000 1 None 16 3 27 7.928 301.814 0.065 0.060 5.424 3.845 2170.404 1538.345 1.777 2.183 18.329 5.124 8 8 302 302 2.763812e+05 9.943361e+03 2.715052e+05 0.00000 1 None 17 1 28 83.554 302.422 0.032 0.022 3.474 3.841 1390.250 1536.918 2.659 3.035 27.430 7.124 82 85 300 304 1.751866e+06 7.964360e+03 1.386995e+07 0.00000 1 None 15 4 29 93.987 302.430 0.019 0.038 3.206 3.841 1282.625 1536.899 2.352 3.507 24.258 8.233 93 95 300 304 1.251020e+06 7.489535e+03 9.734273e+06 0.00000 1 None 16 3 30 69.219 303.549 0.011 0.009 3.844 3.834 1538.130 1534.272 3.356 3.451 34.624 8.102 67 71 302 306 5.280098e+06 7.400399e+03 6.067254e+07 0.00000 1 None 13 10 31 83.567 306.194 0.054 0.038 3.474 3.819 1390.117 1528.062 2.669 3.572 27.532 8.385 82 85 303 309 9.486306e+05 7.600021e+03 1.506770e+07 0.00000 1 None 15 4 32 93.990 306.313 0.034 0.075 3.205 3.818 1282.592 1527.784 2.365 3.955 24.393 9.285 93 95 303 309 6.568034e+05 7.282279e+03 9.619167e+06 0.00000 1 None 16 3 33 70.552 309.381 0.029 0.021 3.810 3.800 1524.374 1520.582 3.404 4.100 35.113 9.626 69 73 306 312 2.951602e+06 7.372373e+03 4.865319e+07 0.00000 1 None 13 10 34 72.030 316.065 0.014 0.020 3.772 3.761 1509.127 1504.891 3.079 4.961 31.759 11.646 70 74 312 320 2.581686e+06 7.022512e+03 4.782068e+07 0.00000 1 None 13 10 35 67.031 316.982 0.026 0.157 3.900 3.756 1560.704 1502.738 2.226 7.499 22.967 17.605 66 68 312 322 7.543244e+05 7.097615e+03 1.279975e+07 0.00000 1 None 13 10 36 83.166 316.800 0.078 0.393 3.484 3.757 1394.255 1503.166 3.004 8.893 30.990 20.877 82 85 314 323 5.119631e+05 7.041916e+03 1.101033e+07 0.00000 1 None 18 2 37 67.182 323.457 0.057 0.193 3.897 3.718 1559.140 1487.539 2.328 4.672 24.013 10.967 66 68 320 325 4.625944e+05 7.447536e+03 4.317623e+06 0.00000 1 None 13 10 38 72.853 322.652 0.024 0.031 3.750 3.722 1500.644 1489.427 2.788 3.703 28.756 8.692 71 75 320 325 1.486812e+06 7.356421e+03 1.997267e+07 0.00000 1 None 13 10 39 83.003 322.741 0.117 0.119 3.489 3.722 1395.936 1489.218 3.209 3.834 33.100 9.000 82 84 320 324 3.486137e+05 7.175802e+03 3.763306e+06 0.00000 1 None 18 2 40 30.698 339.674 0.076 0.048 4.837 3.622 1935.505 1449.469 2.414 2.560 24.905 6.009 30 31 339 340 4.834453e+05 7.948745e+03 1.573526e+06 0.00000 1 None 19 1 41 83.113 339.731 0.169 0.048 3.486 3.622 1394.803 1449.334 3.588 2.367 37.015 5.557 82 84 339 340 3.373837e+05 7.365155e+03 1.558942e+06 0.00000 1 None 20 1 42 107.134 339.749 0.166 0.079 2.867 3.622 1147.000 1449.293 2.727 2.384 28.128 5.596 107 107 340 340 2.093588e+05 7.604249e+03 2.037882e+05 0.00000 1 None 21 1 43 30.699 343.656 0.029 0.024 4.837 3.599 1935.494 1440.120 2.359 2.817 24.336 6.614 29 32 342 346 1.196251e+06 7.868728e+03 7.515828e+06 0.00000 1 None 22 2 44 66.907 343.717 0.104 0.095 3.904 3.599 1561.974 1439.979 2.513 2.879 25.928 6.759 67 67 343 344 2.655928e+05 7.474494e+03 4.921907e+05 0.00000 1 None 23 1 45 72.881 343.906 0.124 0.064 3.750 3.598 1500.353 1439.534 2.804 2.785 28.927 6.537 72 73 343 344 2.732430e+05 7.265548e+03 8.527844e+05 0.00000 1 None 24 1 46 78.739 343.874 0.100 0.035 3.599 3.598 1439.922 1439.610 2.930 2.589 30.222 6.077 78 81 343 345 4.634361e+05 7.383833e+03 3.126832e+06 0.00000 1 None 25 2 47 83.186 343.749 0.081 0.023 3.484 3.599 1394.048 1439.902 3.665 2.572 37.811 6.037 80 85 342 345 7.981502e+05 7.304045e+03 7.578178e+06 0.00000 1 None 25 2 48 107.160 343.730 0.059 0.040 2.866 3.599 1146.733 1439.947 2.625 2.719 27.076 6.382 106 108 343 345 5.554154e+05 7.522627e+03 2.898007e+06 0.00000 1 None 26 1 49 30.709 347.738 0.042 0.029 4.837 3.575 1935.390 1430.538 2.373 2.746 24.482 6.447 30 32 346 349 8.058209e+05 7.791215e+03 4.308545e+06 0.00000 1 None 22 2 50 72.874 347.961 0.167 0.074 3.750 3.574 1500.419 1430.014 2.837 2.670 29.267 6.268 73 73 348 348 2.095191e+05 7.290430e+03 2.086123e+05 0.00000 1 None 27 1 51 78.779 347.922 0.136 0.044 3.598 3.574 1439.513 1430.106 2.975 2.528 30.690 5.933 78 80 347 348 3.272588e+05 7.357563e+03 1.332518e+06 0.00000 1 None 28 1 52 83.258 347.797 0.147 0.031 3.482 3.575 1393.303 1430.399 3.771 2.497 38.899 5.862 82 85 347 349 5.202277e+05 7.306843e+03 3.785590e+06 0.00000 1 None 29 1 53 107.161 347.762 0.088 0.055 2.866 3.575 1146.724 1430.482 2.639 2.688 27.219 6.311 106 108 347 348 3.748792e+05 7.494537e+03 1.540275e+06 0.00000 1 None 30 1 54 72.895 356.834 0.136 0.212 3.749 3.522 1500.209 1409.185 2.533 4.143 26.126 9.725 73 73 357 357 1.931012e+05 7.000970e+03 1.918264e+05 0.00000 1 None 31 1 55 82.958 357.163 0.146 0.167 3.490 3.520 1396.401 1408.413 3.341 4.583 34.464 10.759 82 84 356 360 2.983928e+05 7.029154e+03 5.184949e+06 0.00000 1 None 32 8 56 30.667 360.318 0.050 0.100 4.838 3.501 1935.832 1401.006 2.209 4.155 22.788 9.754 30 31 357 363 5.936452e+05 7.573400e+03 5.528806e+06 0.00000 1 None 33 2 57 68.176 361.492 0.067 0.022 3.871 3.494 1548.892 1398.252 4.207 2.729 43.400 6.405 66 71 360 363 1.389373e+06 7.621800e+03 1.569536e+07 0.00000 1 None 34 6 58 93.918 361.430 0.098 0.095 3.207 3.495 1283.339 1398.395 2.342 2.526 24.159 5.931 94 94 361 362 2.730032e+05 8.084631e+03 4.878646e+05 0.00000 1 None 35 1 59 83.260 361.606 0.045 0.059 3.482 3.494 1393.282 1397.984 3.128 4.392 32.263 10.309 81 85 359 365 1.175433e+06 7.267608e+03 1.853798e+07 0.00000 1 None 32 8 60 107.144 362.370 0.092 0.403 2.866 3.489 1146.901 1396.189 2.407 5.686 24.828 13.347 107 108 360 363 2.755416e+05 7.171296e+03 1.671988e+06 0.00000 1 None 36 1 61 78.782 362.615 0.089 0.058 3.598 3.488 1439.477 1395.615 2.797 2.756 28.858 6.469 78 81 361 364 4.660787e+05 7.472460e+03 4.201722e+06 0.00000 1 None 32 8 62 93.960 365.430 0.036 0.045 3.206 3.471 1282.898 1389.006 2.371 2.841 24.454 6.670 93 95 364 367 7.145732e+05 7.806339e+03 4.022382e+06 0.00000 1 None 37 1 63 30.699 366.403 0.058 0.093 4.837 3.466 1935.498 1386.723 2.039 3.190 21.036 7.488 30 31 364 367 4.544784e+05 8.105109e+03 2.319396e+06 0.00000 1 None 33 2 64 68.901 365.591 0.023 0.010 3.852 3.470 1541.407 1388.629 3.728 2.804 38.457 6.582 66 72 364 368 2.770632e+06 7.420886e+03 3.406437e+07 0.00000 1 None 34 6 65 83.271 366.227 0.046 0.021 3.482 3.467 1393.169 1387.135 3.204 3.020 33.057 7.088 81 85 364 368 1.229292e+06 7.351326e+03 1.337462e+07 0.00000 1 None 32 8 66 78.754 366.835 0.084 0.022 3.598 3.463 1439.766 1385.708 3.040 2.247 31.357 5.274 77 81 366 368 5.778499e+05 7.319455e+03 4.044132e+06 0.00000 1 None 32 8 67 107.109 366.602 0.109 0.097 2.867 3.464 1147.258 1386.256 2.650 2.798 27.333 6.569 107 108 366 367 2.947071e+05 7.539957e+03 9.659548e+05 0.00000 1 None 38 1 68 30.694 370.193 0.064 0.052 4.837 3.443 1935.553 1377.824 2.154 2.816 22.219 6.612 30 31 369 371 4.462768e+05 7.940274e+03 1.764326e+06 0.00000 1 None 39 1 69 68.261 369.875 0.078 0.011 3.869 3.445 1548.016 1378.571 4.679 2.713 48.271 6.369 65 71 368 372 1.477226e+06 7.136861e+03 2.047797e+07 0.00000 1 None 34 6 70 83.411 370.207 0.069 0.017 3.478 3.443 1391.730 1377.791 3.501 2.737 36.112 6.425 81 85 368 372 1.232587e+06 7.450375e+03 1.296643e+07 0.00000 1 None 32 8 71 107.167 370.440 0.097 0.099 2.866 3.442 1146.659 1377.245 2.553 2.906 26.334 6.821 107 108 370 371 3.432741e+05 7.778352e+03 1.114112e+06 0.00000 1 None 40 1 72 72.719 370.563 0.076 0.046 3.754 3.441 1502.025 1376.958 3.025 2.887 31.202 6.778 71 74 369 373 7.201927e+05 7.596118e+03 6.933188e+06 0.00000 1 None 34 6 73 78.779 370.713 0.077 0.036 3.598 3.440 1439.509 1376.605 2.912 2.612 30.044 6.132 77 81 370 372 5.700961e+05 7.375342e+03 4.270644e+06 0.00000 1 None 32 8 74 67.181 374.166 0.114 0.081 3.897 3.420 1559.148 1368.498 2.985 3.457 30.791 8.116 66 68 372 375 3.699700e+05 7.358905e+03 3.312847e+06 0.00000 1 None 34 6 75 72.785 374.283 0.130 0.129 3.752 3.419 1501.339 1368.224 2.706 3.476 27.919 8.159 72 73 372 375 2.891842e+05 7.489557e+03 1.881251e+06 0.00000 1 None 34 6 76 83.312 374.274 0.206 0.084 3.481 3.419 1392.749 1368.246 3.669 3.291 37.854 7.726 82 85 372 375 3.838664e+05 7.287149e+03 4.555961e+06 0.00000 1 None 32 8 77 78.809 374.592 0.162 0.144 3.597 3.418 1439.198 1367.499 2.758 3.028 28.452 7.109 79 79 374 375 2.364253e+05 7.462052e+03 4.507844e+05 0.00000 1 None 41 1 78 7.900 408.021 0.055 0.123 5.425 3.222 2170.685 1289.024 1.667 3.453 17.202 8.106 8 8 408 409 2.240022e+05 7.762018e+03 4.133514e+05 0.00000 1 None 42 1 79 68.217 408.894 0.028 0.013 3.870 3.216 1548.461 1286.975 3.111 3.130 32.096 7.347 66 70 407 411 1.703320e+06 7.227638e+03 1.791481e+07 0.00000 1 None 43 2 80 83.460 408.928 0.134 0.060 3.477 3.216 1391.219 1286.894 2.762 3.220 28.497 7.560 83 84 408 410 4.221545e+05 7.615011e+03 2.010246e+06 0.00000 1 None 44 1 81 94.002 408.880 0.021 0.022 3.205 3.216 1282.467 1287.007 2.440 3.308 25.172 7.764 93 95 407 411 1.129184e+06 7.264021e+03 8.334676e+06 0.00000 1 None 45 2 82 7.927 412.703 0.051 0.198 5.424 3.194 2170.412 1278.032 1.589 3.653 16.396 8.576 8 8 413 413 2.232844e+05 7.875996e+03 2.194395e+05 0.00000 1 None 46 1 83 68.229 413.331 0.027 0.022 3.870 3.190 1548.342 1276.558 3.030 3.434 31.257 8.062 66 70 411 415 1.734801e+06 7.343798e+03 1.947693e+07 0.00000 1 None 43 2 84 83.524 413.443 0.147 0.151 3.475 3.190 1390.556 1276.295 2.666 3.636 27.505 8.535 83 84 412 415 3.851371e+05 7.850124e+03 2.235196e+06 0.00000 1 None 47 1 85 94.004 413.306 0.019 0.034 3.205 3.190 1282.444 1276.616 2.386 3.606 24.616 8.466 93 95 410 416 1.202298e+06 7.330269e+03 1.162098e+07 0.00000 1 None 45 2 86 30.647 464.708 0.090 0.051 4.838 2.889 1936.033 1155.952 2.376 2.531 24.507 5.942 30 31 464 465 4.301075e+05 8.052087e+03 1.385568e+06 0.00000 1 None 48 1 87 78.733 464.885 0.133 0.038 3.599 2.888 1439.987 1155.536 2.911 2.355 30.028 5.528 78 79 464 465 3.513422e+05 7.493125e+03 1.090030e+06 0.00000 1 None 49 1 88 82.721 464.836 0.154 0.038 3.496 2.888 1398.843 1155.649 3.263 2.426 33.657 5.694 82 84 464 465 3.884371e+05 7.400731e+03 1.667535e+06 0.00000 1 None 50 1 89 107.141 464.757 0.063 0.034 2.866 2.889 1146.929 1155.835 2.715 2.528 28.006 5.935 106 108 464 467 5.413207e+05 7.532312e+03 3.437916e+06 0.00000 1 None 51 3 90 30.652 468.703 0.043 0.032 4.838 2.865 1935.983 1146.571 2.353 2.814 24.277 6.605 29 32 467 470 8.499140e+05 7.895511e+03 4.903808e+06 0.00000 1 None 52 1 91 78.761 468.839 0.057 0.026 3.598 2.865 1439.693 1146.254 2.764 2.672 28.513 6.274 77 81 468 470 7.014612e+05 7.436747e+03 4.890816e+06 0.00000 1 None 53 2 92 82.738 468.787 0.077 0.027 3.496 2.865 1398.665 1146.376 3.205 2.693 33.059 6.323 81 85 467 470 7.224893e+05 7.375198e+03 5.989752e+06 0.00000 1 None 53 2 93 107.160 468.751 0.030 0.021 2.866 2.865 1146.733 1146.460 2.638 2.791 27.213 6.553 106 109 467 471 1.084452e+06 7.470590e+03 7.856044e+06 0.00000 1 None 51 3 94 30.675 472.659 0.073 0.062 4.838 2.842 1935.746 1137.287 2.317 2.840 23.904 6.667 30 31 472 474 4.735166e+05 7.904169e+03 1.929331e+06 0.00000 1 None 54 1 95 78.797 472.810 0.094 0.049 3.597 2.841 1439.318 1136.932 2.728 2.692 28.138 6.318 78 80 472 474 3.910558e+05 7.418077e+03 2.103944e+06 0.00000 1 None 55 1 96 82.803 472.785 0.120 0.048 3.494 2.842 1398.002 1136.990 3.183 2.727 32.834 6.402 82 84 472 474 4.132509e+05 7.324830e+03 2.436113e+06 0.00000 1 None 56 1 97 107.191 472.697 0.056 0.039 2.865 2.842 1146.412 1137.197 2.661 2.790 27.448 6.549 106 108 471 474 6.355926e+05 7.535982e+03 4.017274e+06 0.00000 1 None 51 3