REMARK ROI 2D Peak Detection System, File: ./test.ft2 REMARK Detection Levels: -5.76405e+08 and 576404 REMARK Detection: X(+/-1) Y(+/-1) REMARK Interpolation: X(+/-1) Y(+/-1) REMARK Noise: 12203.4, 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: 98, Good Peaks: 98, Questionable Peaks: 0 REMARK Clusters: 68, Max Cluster Size: 6 REMARK ROI Spectral Axis Limits: DATA X_AXIS 1H 1 208 5.855ppm 1.852ppm DATA Y_AXIS 1H 1 744 6.050ppm 1.690ppm 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 13.729 76.422 0.020 0.028 5.608 5.607 2244.098 2243.552 2.656 3.767 20.549 8.843 12 15 73 79 2.544367e+06 9.749285e+03 3.665593e+07 0.00000 1 None 1 2 2 173.947 76.317 0.061 0.043 2.510 5.608 1004.506 2243.800 3.375 3.252 26.116 7.635 173 175 75 78 1.006630e+06 9.469349e+03 8.718592e+06 0.00000 1 None 2 2 3 104.554 77.114 0.079 0.088 3.852 5.603 1541.395 2241.928 3.343 6.061 25.865 14.229 103 106 75 81 1.307171e+06 9.479047e+03 2.553684e+07 0.00000 1 None 3 2 4 13.757 79.032 0.016 0.018 5.608 5.592 2243.881 2237.425 2.637 4.172 20.399 9.794 12 15 76 82 2.826235e+06 9.437044e+03 4.194042e+07 0.00000 1 None 1 2 5 104.551 79.032 0.079 0.042 3.852 5.592 1541.414 2237.425 3.443 4.470 26.637 10.493 103 106 76 82 1.404269e+06 9.511814e+03 2.563321e+07 0.00000 1 None 3 2 6 116.560 78.955 0.157 0.059 3.620 5.592 1448.508 2237.606 3.866 4.221 29.910 9.908 116 118 76 80 8.719481e+05 9.408014e+03 1.037348e+07 0.00000 1 None 4 1 7 168.019 78.753 0.046 0.066 2.625 5.593 1050.370 2238.079 2.866 4.122 22.177 9.676 167 169 76 80 9.206887e+05 9.330418e+03 9.977130e+06 0.00000 1 None 5 1 8 173.951 79.421 0.054 0.094 2.510 5.589 1004.475 2236.512 3.282 4.531 25.389 10.638 173 175 76 81 1.050766e+06 9.353403e+03 1.412724e+07 0.00000 1 None 2 2 9 58.132 211.912 0.013 0.010 4.750 4.812 1900.554 1925.488 1.904 2.331 14.729 5.472 58 59 210 212 2.054473e+06 1.211366e+04 5.872760e+06 0.00000 1 None 6 1 10 183.957 213.083 0.026 0.020 2.317 4.805 927.058 1922.739 2.197 2.566 16.996 6.024 184 184 213 214 1.012329e+06 9.908370e+03 1.711885e+06 0.00000 1 None 7 1 11 204.049 212.829 0.036 0.012 1.928 4.807 771.611 1923.336 2.646 2.014 20.474 4.728 203 205 212 213 1.217382e+06 1.106909e+04 3.888764e+06 0.00000 1 None 8 1 12 135.675 214.002 0.031 0.011 3.250 4.800 1300.611 1920.583 2.406 2.362 18.612 5.544 135 136 213 215 1.555753e+06 1.032517e+04 5.815098e+06 0.00000 1 None 9 1 13 38.749 215.005 0.493 0.007 5.125 4.794 2050.524 1918.228 7.532 2.049 58.274 4.809 34 44 214 216 1.650380e+06 9.601362e+03 3.615583e+07 0.00000 1 None 10 3 14 46.610 215.027 0.113 0.003 4.973 4.794 1989.703 1918.177 6.111 2.096 47.281 4.920 43 51 214 216 3.934625e+06 9.516868e+03 8.024843e+07 0.00000 1 None 10 3 15 55.549 215.000 0.000 0.000 4.800 4.794 1920.544 1918.240 2.459 2.398 19.028 5.630 54 57 214 217 1.654492e+08 1.066118e+04 8.193739e+08 0.00000 1 None 10 3 16 6.425 216.218 0.060 0.013 5.750 4.787 2300.613 1915.380 2.692 2.099 20.828 4.928 6 7 216 217 1.715656e+06 1.244853e+04 4.837941e+06 0.00000 1 None 11 1 17 13.736 370.687 0.087 0.043 5.608 3.881 2244.046 1552.764 2.711 2.515 20.976 5.903 14 14 371 371 6.476591e+05 1.018528e+04 6.167172e+05 0.00000 1 None 12 1 18 104.449 370.789 0.108 0.012 3.854 3.880 1542.203 1552.524 4.296 2.340 33.238 5.494 103 106 370 373 1.661891e+06 9.659063e+03 1.397503e+07 0.00000 1 None 13 3 19 168.036 370.838 0.082 0.027 2.625 3.880 1050.240 1552.410 3.189 2.362 24.670 5.544 168 168 371 371 6.674826e+05 9.619346e+03 6.610183e+05 0.00000 1 None 14 1 20 173.955 370.838 0.106 0.024 2.510 3.880 1004.445 1552.408 3.750 2.314 29.011 5.433 173 174 371 371 7.072242e+05 9.516533e+03 1.279564e+06 0.00000 1 None 15 1 21 13.741 376.654 0.051 0.039 5.608 3.846 2244.009 1538.757 2.586 2.889 20.009 6.781 13 14 375 377 9.672365e+05 9.986746e+03 4.450108e+06 0.00000 1 None 16 1 22 104.587 376.719 0.049 0.014 3.852 3.845 1541.140 1538.604 3.537 2.887 27.364 6.777 102 106 375 379 2.358273e+06 9.714980e+03 2.936302e+07 0.00000 1 None 13 3 23 116.409 376.802 0.066 0.029 3.623 3.845 1449.675 1538.409 2.618 2.697 20.259 6.331 116 117 376 377 9.521484e+05 1.011402e+04 3.167697e+06 0.00000 1 None 17 1 24 168.047 376.848 0.049 0.025 2.625 3.844 1050.152 1538.301 3.051 2.820 23.608 6.619 167 169 375 378 1.011059e+06 9.486087e+03 7.665366e+06 0.00000 1 None 18 1 25 173.964 376.770 0.059 0.026 2.510 3.845 1004.371 1538.483 3.486 2.828 26.974 6.639 173 176 375 378 1.097034e+06 9.456754e+03 1.064578e+07 0.00000 1 None 19 1 26 13.790 380.468 0.050 0.058 5.607 3.823 2243.631 1529.804 2.509 2.988 19.411 7.013 13 14 380 381 9.390532e+05 1.035299e+04 3.131229e+06 0.00000 1 None 20 1 27 104.549 380.654 0.061 0.014 3.852 3.822 1541.434 1529.366 3.717 2.658 28.759 6.240 102 106 379 382 2.272493e+06 9.889817e+03 2.160055e+07 0.00000 1 None 13 3 28 116.494 380.702 0.168 0.030 3.621 3.822 1449.015 1529.253 3.705 2.498 28.667 5.865 116 117 380 381 8.959022e+05 1.002596e+04 3.118053e+06 0.00000 1 None 21 1 29 168.058 380.769 0.053 0.025 2.624 3.821 1050.072 1529.096 3.106 2.617 24.034 6.144 167 169 380 381 9.834694e+05 9.614937e+03 4.377904e+06 0.00000 1 None 22 1 30 173.971 380.681 0.060 0.027 2.510 3.822 1004.321 1529.301 3.433 2.654 26.561 6.230 173 175 380 381 1.077790e+06 9.630644e+03 5.112952e+06 0.00000 1 None 23 1 31 13.768 414.635 0.049 0.038 5.608 3.623 2243.799 1449.596 2.457 2.673 19.011 6.276 13 14 414 415 9.099399e+05 1.026303e+04 2.907751e+06 0.00000 1 None 24 1 32 104.887 414.994 0.041 0.010 3.846 3.621 1538.819 1448.753 3.509 2.496 27.153 5.858 103 106 414 416 1.656181e+06 9.420637e+03 1.185758e+07 0.00000 1 None 25 1 33 116.897 414.911 0.015 0.003 3.614 3.621 1445.900 1448.946 4.074 2.455 31.523 5.762 115 119 413 417 5.916270e+06 9.359035e+03 5.103642e+07 0.00000 1 None 26 1 34 168.013 415.018 0.029 0.010 2.625 3.621 1050.413 1448.697 3.177 2.502 24.578 5.873 166 169 414 416 1.837719e+06 9.483287e+03 1.235858e+07 0.00000 1 None 27 1 35 173.912 414.956 0.042 0.010 2.511 3.621 1004.779 1448.842 3.602 2.463 27.871 5.782 173 176 414 416 1.674767e+06 9.415200e+03 1.180623e+07 0.00000 1 None 28 1 36 13.788 420.793 0.060 0.037 5.607 3.587 2243.647 1435.139 2.456 2.619 19.003 6.149 14 14 421 421 6.781285e+05 9.984827e+03 6.600163e+05 0.00000 1 None 29 1 37 105.076 421.178 0.061 0.024 3.842 3.584 1537.358 1434.236 3.240 2.623 25.067 6.158 104 106 421 422 9.307999e+05 9.540467e+03 4.151182e+06 0.00000 1 None 30 1 38 116.923 421.047 0.017 0.003 3.613 3.585 1445.696 1434.543 4.116 2.486 31.844 5.836 115 119 419 423 5.204866e+06 9.326256e+03 4.707926e+07 0.00000 1 None 31 1 39 168.007 421.095 0.037 0.014 2.625 3.585 1050.466 1434.431 3.169 2.587 24.520 6.073 166 169 420 422 1.407072e+06 9.492878e+03 9.676618e+06 0.00000 1 None 32 1 40 173.926 421.127 0.050 0.015 2.511 3.585 1004.670 1434.356 3.503 2.530 27.104 5.939 173 176 420 422 1.311598e+06 9.464725e+03 9.208076e+06 0.00000 1 None 33 1 41 129.460 458.112 0.049 0.016 3.371 3.368 1348.698 1347.532 2.629 2.559 20.338 6.008 129 130 457 459 1.429390e+06 1.035947e+04 5.998683e+06 0.00000 1 None 34 1 42 136.824 483.036 0.003 0.003 3.228 3.221 1291.725 1289.023 1.807 2.893 13.984 6.791 136 137 482 485 8.810922e+06 1.073453e+04 3.078472e+07 0.00000 1 None 35 1 43 10.984 486.030 0.073 0.016 5.661 3.204 2265.340 1281.994 3.146 1.983 24.343 4.655 11 11 486 486 6.595379e+05 8.843432e+03 6.591926e+05 0.00000 1 None 36 1 44 15.144 485.923 0.179 0.014 5.581 3.205 2233.155 1282.247 4.262 1.675 32.973 3.933 15 15 486 486 6.265180e+05 1.009466e+04 6.224454e+05 0.00000 1 None 37 1 45 1.387 486.592 1.169 0.028 5.847 3.201 2339.590 1280.676 7.495 2.000 57.987 4.696 2 2 487 487 7.206298e+05 1.075872e+04 6.538774e+05 0.00000 1 None 38 1 46 77.234 486.840 0.052 0.012 4.380 3.199 1752.769 1280.094 2.597 1.814 20.089 4.257 77 78 487 487 1.093336e+06 1.194448e+04 1.763978e+06 0.00000 1 None 39 1 47 135.079 489.451 0.008 0.002 3.262 3.184 1305.227 1273.963 3.406 2.163 26.352 5.079 132 138 489 491 1.061594e+07 1.102924e+04 4.733507e+08 0.00000 1 None 40 4 48 138.779 488.566 0.000 0.000 3.190 3.189 1276.597 1276.041 2.235 2.974 17.291 6.983 137 140 487 491 3.324641e+08 1.032637e+04 1.897210e+09 0.00000 1 None 40 4 49 202.867 489.126 0.057 0.016 1.951 3.186 780.756 1274.727 2.683 1.973 20.758 4.632 203 203 489 489 8.596902e+05 1.115521e+04 8.485808e+05 0.00000 1 None 41 1 50 109.042 490.094 0.191 0.012 3.765 3.180 1506.669 1272.456 4.811 1.592 37.222 3.738 109 109 490 490 6.818588e+05 1.012036e+04 6.770421e+05 0.00000 1 None 42 1 51 112.319 490.097 0.234 0.009 3.702 3.180 1481.317 1272.448 5.083 1.599 39.324 3.754 111 116 490 490 9.000886e+05 1.001052e+04 4.656809e+06 0.00000 1 None 40 4 52 121.363 489.906 0.093 0.004 3.527 3.181 1411.343 1272.896 5.342 1.829 41.332 4.294 117 125 489 491 2.518549e+06 9.349513e+03 3.265009e+07 0.00000 1 None 40 4 53 142.379 490.026 0.016 0.002 3.121 3.180 1248.743 1272.614 2.632 1.647 20.366 3.866 142 144 490 491 4.253515e+06 1.160776e+04 1.495732e+07 0.00000 1 None 43 6 54 144.176 490.010 0.019 0.001 3.086 3.181 1234.843 1272.652 3.977 1.616 30.769 3.794 142 147 489 491 4.801304e+06 9.177714e+03 3.276739e+07 0.00000 1 None 43 6 55 149.674 489.975 0.069 0.002 2.980 3.181 1192.301 1272.735 5.229 1.622 40.460 3.808 146 154 489 490 3.078376e+06 9.442804e+03 2.629722e+07 0.00000 1 None 43 6 56 156.122 490.055 0.135 0.005 2.855 3.180 1142.417 1272.546 5.513 1.525 42.655 3.580 152 160 490 490 1.314744e+06 9.816355e+03 1.062554e+07 0.00000 1 None 43 6 57 159.031 490.092 0.136 0.007 2.799 3.180 1119.906 1272.459 5.212 1.583 40.322 3.717 155 163 490 490 1.055982e+06 9.543178e+03 8.434376e+06 0.00000 1 None 43 6 58 164.000 490.024 9.093 0.009 2.703 3.181 1081.465 1272.620 12.369 1.530 95.695 3.591 155 165 490 490 1.065425e+06 1.198228e+04 1.012632e+07 0.00000 1 None 43 6 59 176.077 489.928 0.065 0.015 2.469 3.181 988.024 1272.845 2.620 1.734 20.268 4.070 176 176 490 490 6.098082e+05 1.016586e+04 6.066446e+05 0.00000 1 None 44 1 60 148.201 519.882 0.024 0.016 3.008 3.005 1203.703 1202.527 2.312 2.736 17.890 6.422 148 149 519 521 1.485893e+06 9.968059e+03 5.781274e+06 0.00000 1 None 45 1 61 167.795 578.392 0.043 0.025 2.629 2.662 1052.103 1065.175 3.342 3.060 25.860 7.184 166 169 577 580 1.754633e+06 9.679081e+03 1.910201e+07 0.00000 1 None 46 2 62 116.651 579.833 0.172 0.140 3.618 2.654 1447.798 1061.792 3.744 5.267 28.970 12.364 116 117 578 580 6.411903e+05 9.329281e+03 3.506064e+06 0.00000 1 None 47 1 63 167.731 579.523 0.055 0.059 2.631 2.655 1052.595 1062.520 3.511 4.235 27.161 9.943 166 169 577 581 1.636072e+06 9.584252e+03 2.311996e+07 0.00000 1 None 46 2 64 173.716 581.196 0.090 0.035 2.515 2.646 1006.293 1058.592 3.247 2.947 25.119 6.918 173 174 581 583 8.639538e+05 9.618067e+03 4.177400e+06 0.00000 1 None 48 3 65 13.695 585.276 0.070 0.108 5.609 2.622 2244.360 1049.014 2.478 4.191 19.172 9.839 14 14 585 587 6.643873e+05 9.741134e+03 1.904947e+06 0.00000 1 None 49 2 66 104.631 585.465 0.076 0.063 3.851 2.621 1540.800 1048.571 3.253 3.755 25.166 8.815 103 106 584 588 1.212174e+06 9.734459e+03 1.689897e+07 0.00000 1 None 50 2 67 116.705 585.491 0.086 0.062 3.617 2.620 1447.384 1048.511 3.748 3.761 28.995 8.830 116 118 584 588 1.256646e+06 9.632113e+03 1.476542e+07 0.00000 1 None 51 2 68 174.026 585.118 0.023 0.027 2.509 2.623 1003.896 1049.386 2.954 4.169 22.855 9.787 173 176 582 588 1.890477e+06 9.239108e+03 2.692260e+07 0.00000 1 None 48 3 69 13.763 586.662 0.057 0.072 5.608 2.614 2243.838 1045.761 2.383 3.335 18.435 7.829 14 14 585 587 6.847829e+05 9.747723e+03 1.904947e+06 0.00000 1 None 49 2 70 104.649 586.743 0.074 0.038 3.850 2.613 1540.658 1045.570 3.411 3.545 26.393 8.321 103 106 584 588 1.273088e+06 9.549010e+03 1.689897e+07 0.00000 1 None 50 2 71 116.733 586.747 0.077 0.033 3.617 2.613 1447.168 1045.561 3.838 3.467 29.691 8.139 116 118 585 588 1.340737e+06 9.398058e+03 1.255543e+07 0.00000 1 None 51 2 72 168.065 586.970 0.022 0.014 2.624 2.612 1050.014 1045.037 3.410 3.765 26.381 8.839 166 170 584 589 2.768750e+06 9.240521e+03 4.081224e+07 0.00000 1 None 52 1 73 174.053 586.475 0.025 0.041 2.508 2.615 1003.684 1046.200 2.810 3.591 21.742 8.429 173 176 583 588 1.794527e+06 9.779625e+03 2.478878e+07 0.00000 1 None 48 3 74 13.677 601.155 0.083 0.026 5.609 2.529 2244.504 1011.738 2.724 2.328 21.077 5.464 13 14 601 601 7.223112e+05 1.005143e+04 1.304082e+06 0.00000 1 None 53 1 75 104.628 601.308 0.097 0.020 3.851 2.528 1540.823 1011.378 3.612 2.401 27.946 5.636 103 106 601 602 1.208263e+06 9.951588e+03 6.926298e+06 0.00000 1 None 54 1 76 116.754 601.319 0.101 0.021 3.616 2.528 1447.006 1011.354 4.006 2.406 30.991 5.649 116 118 601 603 1.145462e+06 9.768380e+03 7.035204e+06 0.00000 1 None 55 3 77 173.910 601.184 0.034 0.008 2.511 2.528 1004.795 1011.671 3.854 2.361 29.822 5.543 172 176 600 603 2.396734e+06 9.545659e+03 2.196518e+07 0.00000 1 None 56 2 78 168.060 601.767 0.030 0.022 2.624 2.525 1050.056 1010.303 2.803 2.936 21.688 6.893 167 169 601 604 1.396486e+06 9.395466e+03 1.144219e+07 0.00000 1 None 57 3 79 13.764 604.398 0.061 0.059 5.608 2.509 2243.828 1004.124 2.464 2.922 19.062 6.859 14 14 604 605 7.082718e+05 9.874337e+03 1.329046e+06 0.00000 1 None 58 1 80 173.947 604.385 0.030 0.018 2.510 2.510 1004.503 1004.157 3.453 2.936 26.715 6.893 173 176 602 605 2.201564e+06 9.648867e+03 2.219151e+07 0.00000 1 None 56 2 81 104.655 604.673 0.090 0.026 3.850 2.508 1540.611 1003.480 3.623 2.711 28.028 6.364 103 106 604 605 1.222218e+06 9.753687e+03 7.275794e+06 0.00000 1 None 59 1 82 116.800 604.663 0.081 0.027 3.615 2.508 1446.650 1003.503 3.856 2.781 29.832 6.528 116 118 603 607 1.209354e+06 9.603125e+03 1.076631e+07 0.00000 1 None 55 3 83 168.073 605.077 0.023 0.013 2.624 2.506 1049.952 1002.531 2.873 2.952 22.225 6.930 166 169 603 607 1.935634e+06 9.410775e+03 1.901927e+07 0.00000 1 None 57 3 84 104.574 607.942 0.153 0.023 3.852 2.489 1541.237 995.805 3.759 2.566 29.082 6.023 104 105 607 608 8.446512e+05 9.619621e+03 2.772168e+06 0.00000 1 None 60 1 85 116.783 607.890 0.124 0.026 3.616 2.489 1446.778 995.928 3.936 2.663 30.452 6.251 116 118 606 608 8.011677e+05 9.393920e+03 5.354079e+06 0.00000 1 None 55 3 86 173.975 608.163 0.066 0.012 2.510 2.487 1004.286 995.287 4.116 2.257 31.843 5.298 173 176 607 610 1.338824e+06 9.398626e+03 1.229470e+07 0.00000 1 None 61 2 87 104.587 611.173 0.152 0.029 3.852 2.470 1541.139 988.221 3.782 2.691 29.261 6.317 104 105 611 612 8.527514e+05 9.629961e+03 2.920071e+06 0.00000 1 None 62 1 88 116.789 611.127 0.117 0.027 3.616 2.470 1446.733 988.329 3.842 2.686 29.727 6.305 116 118 611 612 8.033624e+05 9.426179e+03 3.750597e+06 0.00000 1 None 63 1 89 168.112 610.783 0.042 0.030 2.623 2.472 1049.652 989.136 2.565 2.739 19.846 6.430 168 169 609 611 9.027706e+05 9.824022e+03 3.888709e+06 0.00000 1 None 57 3 90 174.024 611.418 0.049 0.025 2.509 2.468 1003.911 987.647 3.839 2.948 29.702 6.920 173 176 609 613 1.669400e+06 9.632502e+03 1.893024e+07 0.00000 1 None 61 2 91 57.325 667.180 0.055 0.037 4.765 2.141 1906.801 856.744 2.074 2.520 16.049 5.916 57 57 667 667 6.598260e+05 1.072902e+04 6.219256e+05 0.00000 1 None 64 1 92 193.334 668.254 0.001 0.000 2.136 2.135 854.512 854.222 2.391 2.561 18.497 6.012 192 195 667 670 7.756568e+07 1.046628e+04 4.076398e+08 0.00000 1 None 65 3 93 197.052 669.181 0.012 0.004 2.064 2.129 825.745 852.047 2.652 2.010 20.520 4.717 195 199 668 670 3.235306e+06 9.692156e+03 4.341981e+07 0.00000 1 None 65 3 94 198.771 669.222 0.078 0.005 2.030 2.129 812.448 851.951 5.222 1.819 40.403 4.270 195 203 669 670 2.388791e+06 9.468498e+03 4.267402e+07 0.00000 1 None 65 3 95 182.268 669.612 0.088 0.029 2.350 2.127 940.128 851.036 2.965 2.186 22.937 5.132 182 183 669 670 7.909364e+05 1.002898e+04 2.706196e+06 0.00000 1 None 66 1 96 187.903 669.813 0.084 0.012 2.241 2.126 896.528 850.564 3.518 1.772 27.219 4.160 186 190 669 670 7.818368e+05 8.976610e+03 5.902288e+06 0.00000 1 None 67 2 97 189.823 669.780 0.028 0.018 2.203 2.126 881.673 850.640 1.967 2.098 15.220 4.926 189 190 669 670 9.549381e+05 1.055233e+04 2.614373e+06 0.00000 1 None 67 2 98 205.120 706.981 0.036 0.023 1.908 1.908 763.325 763.311 2.282 2.573 17.659 6.041 205 205 707 707 8.672648e+05 1.002371e+04 8.624022e+05 0.00000 1 None 68 1