REMARK ROI 2D Peak Detection System, File: ./test.ft2 REMARK Detection Levels: -1.08105e+08 and 108105 REMARK Detection: X(+/-1) Y(+/-1) REMARK Interpolation: X(+/-1) Y(+/-1) REMARK Noise: 8708.97, 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: 95, Good Peaks: 85, Questionable Peaks: 10 REMARK Clusters: 40, Max Cluster Size: 13 REMARK ROI Spectral Axis Limits: DATA X_AXIS 1H 1 107 5.390ppm 3.021ppm DATA Y_AXIS 1H 1 436 5.502ppm 2.950ppm 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 7.487 46.066 0.017 0.009 5.245 5.237 2098.531 2095.686 2.600 3.296 23.249 7.736 5 9 44 48 2.918474e+06 7.234648e+03 2.134429e+07 0.00000 1 None 1 1 2 63.000 46.139 0.128 0.125 4.004 5.237 1602.212 2095.514 2.318 2.969 20.723 6.970 63 63 46 47 1.580726e+05 6.867307e+03 2.777196e+05 0.00000 1 None 2 1 3 76.375 46.141 0.092 0.059 3.705 5.237 1482.640 2095.510 2.577 3.272 23.039 7.680 75 78 45 48 4.393550e+05 7.036609e+03 3.161758e+06 0.00000 1 None 3 1 4 84.030 46.130 0.036 0.033 3.534 5.237 1414.195 2095.535 2.678 3.369 23.943 7.908 83 86 44 48 7.408518e+05 6.710183e+03 6.187962e+06 0.00000 1 None 4 1 5 19.034 90.107 0.002 0.003 4.987 4.979 1995.292 1992.300 2.174 3.780 19.438 8.874 17 20 87 93 1.134349e+07 6.783764e+03 8.778402e+07 0.00000 1 None 5 1 6 63.305 90.224 0.058 0.067 3.997 4.978 1599.487 1992.026 2.184 3.317 19.526 7.786 63 64 89 92 4.569070e+05 7.166946e+03 2.276753e+06 0.00000 1 None 6 1 7 68.308 90.133 0.019 0.015 3.886 4.979 1554.764 1992.238 2.607 3.580 23.310 8.404 67 70 87 93 1.906814e+06 6.897014e+03 1.884265e+07 0.00000 1 None 7 1 8 65.420 118.504 0.057 0.155 3.950 4.813 1580.580 1925.637 2.054 4.075 18.364 9.566 65 66 116 119 5.236829e+05 7.756464e+03 2.743854e+06 0.00000 1 None 8 1 9 26.924 119.899 0.000 0.000 4.810 4.804 1924.753 1922.362 2.269 2.977 20.282 6.988 25 28 118 122 7.662980e+07 6.950238e+03 4.893457e+08 0.00000 1 None 9 1 10 33.015 141.389 0.016 0.018 4.674 4.678 1870.293 1871.916 2.330 2.725 20.831 6.398 32 34 140 143 1.412416e+06 7.287870e+03 7.781808e+06 0.00000 1 None 10 2 11 85.662 141.454 0.023 0.013 3.498 4.678 1399.609 1871.763 2.786 2.645 24.911 6.208 84 88 140 143 2.187445e+06 7.468401e+03 1.545065e+07 0.00000 1 None 11 4 12 96.761 141.499 0.051 0.041 3.250 4.678 1300.380 1871.657 2.648 2.768 23.678 6.497 95 98 140 143 7.780246e+05 7.469031e+03 5.220054e+06 0.00000 1 None 12 2 13 79.447 141.653 0.083 0.036 3.637 4.677 1455.171 1871.296 2.859 2.731 25.564 6.411 78 81 140 144 7.068158e+05 7.212747e+03 5.908999e+06 0.00000 1 None 11 4 14 33.019 144.854 0.015 0.010 4.674 4.658 1870.263 1863.780 2.427 2.548 21.696 5.981 31 34 143 146 1.488049e+06 7.059750e+03 8.594757e+06 0.00000 1 None 10 2 15 79.452 144.984 0.081 0.016 3.637 4.657 1455.131 1863.476 3.016 2.351 26.965 5.518 78 81 143 146 7.817061e+05 7.169699e+03 5.400207e+06 0.00000 1 None 11 4 16 85.704 144.899 0.019 0.005 3.497 4.658 1399.231 1863.676 2.933 2.413 26.218 5.664 84 88 143 147 2.392860e+06 7.025622e+03 1.769007e+07 0.00000 1 None 11 4 17 96.745 144.912 0.049 0.016 3.250 4.658 1300.522 1863.644 2.855 2.473 25.524 5.805 95 98 143 146 8.294662e+05 6.984484e+03 5.772282e+06 0.00000 1 None 12 2 18 76.162 255.625 0.043 0.158 3.710 4.008 1484.539 1603.745 2.372 4.454 21.204 10.456 75 78 253 259 6.067360e+05 7.085236e+03 1.726381e+07 0.00000 1 None 13 13 19 84.182 255.205 0.036 0.032 3.531 4.011 1412.837 1604.730 2.762 3.436 24.696 8.066 83 86 253 257 9.139239e+05 6.747971e+03 8.929910e+06 0.00000 1 None 14 3 20 19.000 257.502 0.000 0.300 4.987 3.997 1995.596 1599.340 1.486 3.132 13.290 7.353 19 19 257 258 1.608113e+05 8.795135e+03 3.050908e+05 0.00000 1 None 15 1 21 63.401 258.235 0.003 0.002 3.995 3.993 1598.635 1597.619 2.536 3.456 22.671 8.114 61 65 255 261 1.536963e+07 7.152256e+03 1.559757e+08 0.00000 1 None 13 13 22 71.000 258.595 0.019 0.038 3.825 3.991 1530.695 1596.773 2.327 3.181 20.807 7.468 69 73 257 260 1.219703e+06 7.337649e+03 1.008595e+07 0.00000 3 None 13 13 23 84.249 259.318 0.045 0.137 3.529 3.986 1412.242 1595.075 2.539 5.617 22.697 13.187 83 86 255 262 6.929984e+05 6.759089e+03 1.359707e+07 0.00000 1 None 14 3 24 74.954 260.476 0.005 0.037 3.737 3.980 1495.341 1592.357 2.290 6.185 20.474 14.519 73 77 256 264 3.865610e+06 6.653484e+03 6.529088e+07 0.00000 1 None 13 13 25 79.074 261.599 0.146 0.262 3.645 3.973 1458.503 1589.720 2.580 3.737 23.062 8.774 79 80 261 265 1.813857e+05 6.878004e+03 1.452460e+06 0.00000 3 None 13 13 26 74.869 263.044 0.005 0.010 3.739 3.965 1496.104 1586.329 2.286 4.535 20.440 10.645 73 76 260 266 4.164360e+06 6.734057e+03 5.532349e+07 0.00000 1 None 13 13 27 79.256 264.215 0.112 0.153 3.641 3.958 1456.878 1583.580 2.158 3.483 19.292 8.175 79 80 262 266 2.020557e+05 6.758706e+03 1.639131e+06 0.00000 3 None 13 13 28 65.089 266.571 0.011 0.036 3.958 3.944 1583.537 1578.050 2.665 5.108 23.830 11.990 63 67 263 270 2.529026e+06 6.664045e+03 6.000624e+07 0.00000 1 None 13 13 29 79.323 267.650 0.091 0.094 3.640 3.937 1456.284 1575.517 2.511 3.359 22.448 7.885 78 80 266 269 3.952690e+05 7.040215e+03 2.644558e+06 0.00000 1 None 13 13 30 85.765 267.649 0.113 0.124 3.496 3.937 1398.691 1575.518 2.682 3.493 23.982 8.199 85 87 266 269 3.128096e+05 6.898634e+03 2.328014e+06 0.00000 1 None 14 3 31 63.408 273.861 0.093 0.294 3.995 3.901 1598.568 1560.936 2.391 4.397 21.374 10.321 62 64 272 277 4.635768e+05 7.752797e+03 5.970173e+06 0.00000 3 None 13 13 32 19.041 273.758 0.019 0.036 4.986 3.902 1995.230 1561.178 2.094 3.528 18.725 8.283 18 20 272 276 9.092327e+05 6.908758e+03 6.291098e+06 0.00000 1 None 16 2 33 68.106 273.960 0.008 0.006 3.890 3.900 1556.564 1560.703 2.590 3.246 23.155 7.621 66 70 272 276 3.400927e+06 6.745127e+03 3.092081e+07 0.00000 1 None 13 13 34 19.020 278.135 0.010 0.015 4.987 3.876 1995.416 1550.903 2.100 3.396 18.777 7.971 18 20 276 280 1.696514e+06 6.909277e+03 1.059313e+07 0.00000 1 None 16 2 35 63.394 278.105 0.039 0.031 3.995 3.876 1598.690 1550.973 2.529 3.652 22.613 8.574 62 65 275 281 1.006352e+06 7.028424e+03 1.004777e+07 0.00000 3 None 13 13 36 68.238 278.135 0.007 0.005 3.887 3.876 1555.386 1550.902 2.719 3.196 24.309 7.502 66 70 276 280 5.083028e+06 6.846143e+03 4.775994e+07 0.00000 1 None 13 13 37 19.031 286.027 0.014 0.025 4.987 3.830 1995.315 1532.376 2.057 3.686 18.392 8.652 18 20 284 289 1.123128e+06 6.831274e+03 7.611090e+06 0.00000 1 None 17 2 38 63.406 286.389 0.031 0.034 3.995 3.828 1598.583 1531.527 2.435 3.395 21.770 7.970 62 65 284 288 1.284462e+06 7.310650e+03 9.359214e+06 0.00000 3 None 18 11 39 70.988 286.373 0.006 0.009 3.826 3.828 1530.796 1531.564 2.715 3.458 24.272 8.119 69 73 284 288 4.457298e+06 6.833697e+03 4.557761e+07 0.00000 1 None 18 11 40 19.011 290.328 0.044 0.218 4.987 3.804 1995.501 1522.281 1.911 4.773 17.088 11.204 18 20 287 292 3.133728e+05 6.789304e+03 4.455640e+06 0.00000 1 None 17 2 41 71.149 290.530 0.010 0.037 3.822 3.803 1529.362 1521.805 2.551 5.100 22.806 11.971 69 73 287 293 2.868472e+06 6.803906e+03 4.884868e+07 0.00000 1 None 18 11 42 63.442 290.825 0.060 0.041 3.994 3.802 1598.267 1521.112 2.531 3.359 22.624 7.885 62 65 289 293 7.217334e+05 7.191471e+03 5.989317e+06 0.00000 3 None 18 11 43 65.350 296.099 0.049 0.019 3.952 3.771 1581.205 1508.732 2.796 2.781 24.993 6.529 64 67 294 298 9.279441e+05 6.993084e+03 6.686700e+06 0.00000 1 None 18 11 44 73.996 296.420 0.010 0.012 3.759 3.769 1503.908 1507.978 2.656 3.119 23.750 7.323 72 76 294 298 2.947159e+06 7.054743e+03 2.359061e+07 0.00000 1 None 18 11 45 79.338 296.513 0.066 0.067 3.639 3.768 1456.149 1507.760 2.443 2.975 21.845 6.983 78 80 295 298 5.866983e+05 7.541288e+03 3.342340e+06 0.00000 3 None 19 1 46 85.764 296.374 0.064 0.052 3.496 3.769 1398.698 1508.085 2.557 2.835 22.860 6.655 85 87 295 298 5.275996e+05 7.201774e+03 3.109375e+06 0.00000 1 None 20 1 47 64.306 301.136 0.008 0.004 3.975 3.741 1590.539 1496.907 2.790 3.263 24.942 7.661 62 66 299 303 5.478659e+06 6.836506e+03 5.352421e+07 0.00000 3 None 18 11 48 74.864 301.109 0.001 0.001 3.739 3.741 1496.148 1496.971 2.354 3.459 21.041 8.120 73 77 299 303 1.882848e+07 6.785295e+03 1.588101e+08 0.00000 1 None 18 11 49 79.235 301.690 0.104 0.168 3.641 3.738 1457.068 1495.607 1.999 2.746 17.870 6.445 79 80 301 302 2.885566e+05 9.408407e+03 8.186052e+05 0.00000 3 None 21 1 50 85.192 302.217 0.060 0.025 3.508 3.735 1403.807 1494.370 2.835 2.487 25.342 5.839 83 87 301 304 6.047186e+05 6.773876e+03 4.431444e+06 0.00000 1 None 22 3 51 84.672 306.753 0.047 0.014 3.520 3.708 1408.462 1483.721 3.372 2.664 30.151 6.253 83 87 305 309 1.394447e+06 6.916853e+03 1.316375e+07 0.00000 1 None 22 3 52 63.404 310.014 0.061 0.033 3.995 3.689 1598.604 1476.066 2.860 3.585 25.570 8.416 62 65 307 312 8.411171e+05 6.980294e+03 1.146054e+07 0.00000 1 None 18 11 53 76.244 310.027 0.022 0.014 3.708 3.689 1483.808 1476.036 2.874 3.464 25.696 8.132 74 78 308 312 1.764803e+06 6.760977e+03 1.873640e+07 0.00000 1 None 18 11 54 84.767 310.759 0.057 0.019 3.518 3.685 1407.609 1474.318 3.295 2.590 29.458 6.081 83 87 309 312 9.267019e+05 6.886959e+03 7.800721e+06 0.00000 1 None 22 3 55 65.203 319.313 0.071 0.374 3.955 3.634 1582.521 1454.238 2.635 7.430 23.562 17.442 64 66 315 323 4.270519e+05 6.586258e+03 6.916678e+06 0.00000 1 None 23 1 56 96.777 319.385 0.060 0.461 3.250 3.634 1300.238 1454.068 2.483 8.035 22.202 18.863 95 98 315 323 4.661711e+05 6.676522e+03 7.663285e+06 0.00000 1 None 24 1 57 33.003 320.145 0.034 0.109 4.674 3.630 1870.403 1452.285 2.134 4.933 19.083 11.581 32 34 317 323 4.907151e+05 6.642520e+03 4.583172e+06 0.00000 1 None 25 1 58 73.988 319.790 0.048 0.167 3.759 3.632 1503.980 1453.116 2.573 5.899 23.006 13.847 73 75 316 323 4.992718e+05 6.594553e+03 7.452386e+06 0.00000 1 None 18 11 59 79.380 319.768 0.040 0.106 3.638 3.632 1455.772 1453.168 2.591 6.256 23.166 14.686 78 81 315 323 1.006918e+06 6.867854e+03 1.639705e+07 0.00000 1 None 26 1 60 85.665 320.122 0.044 0.109 3.498 3.630 1399.582 1452.337 2.660 6.518 23.779 15.300 84 87 315 324 8.744706e+05 6.759152e+03 1.648480e+07 0.00000 1 None 27 1 61 7.469 333.374 0.197 0.247 5.245 3.552 2098.690 1421.228 2.193 3.350 19.608 7.863 7 8 333 334 1.853110e+05 7.814442e+03 6.292072e+05 0.00000 1 None 28 1 62 63.026 333.999 0.023 0.025 4.004 3.548 1601.984 1419.762 2.564 3.638 22.927 8.540 61 65 332 337 1.064225e+06 6.676564e+03 1.313093e+07 0.00000 1 None 29 4 63 76.276 334.093 0.089 0.069 3.708 3.548 1483.526 1419.542 2.733 3.694 24.438 8.671 75 78 332 337 4.234625e+05 6.806209e+03 7.143488e+06 0.00000 1 None 30 10 64 84.200 334.142 0.044 0.045 3.531 3.547 1412.680 1419.426 2.922 4.163 26.123 9.772 82 86 332 337 8.698619e+05 6.743259e+03 1.477345e+07 0.00000 1 None 30 10 65 32.998 336.151 0.054 0.032 4.675 3.536 1870.444 1414.709 2.334 2.338 20.866 5.488 32 34 335 337 3.988131e+05 7.156570e+03 1.664573e+06 0.00000 1 None 31 1 66 76.289 337.417 0.053 0.045 3.707 3.528 1483.404 1411.737 2.882 3.286 25.764 7.714 74 78 335 339 8.593719e+05 7.044084e+03 9.324960e+06 0.00000 1 None 30 10 67 84.652 337.222 0.052 0.038 3.520 3.529 1408.640 1412.195 3.294 4.193 29.449 9.842 83 87 334 340 1.193629e+06 6.743796e+03 2.648017e+07 0.00000 1 None 30 10 68 63.075 337.906 0.021 0.024 4.003 3.525 1601.543 1410.590 2.610 3.774 23.336 8.859 61 65 335 341 1.231389e+06 6.713107e+03 1.769249e+07 0.00000 1 None 29 4 69 96.729 340.392 0.087 0.087 3.251 3.511 1300.666 1404.753 2.589 3.218 23.149 7.554 96 98 339 342 4.143637e+05 7.082901e+03 3.150552e+06 0.00000 1 None 32 2 70 63.387 340.817 0.068 0.123 3.996 3.508 1598.753 1403.757 2.915 6.107 26.063 14.335 62 65 337 345 7.522220e+05 6.832938e+03 1.832997e+07 0.00000 1 None 29 4 71 76.091 341.273 0.054 0.026 3.712 3.506 1485.181 1402.685 3.698 3.091 33.058 7.256 73 79 339 343 1.019142e+06 6.851432e+03 2.016368e+07 0.00000 1 None 30 10 72 33.024 342.953 0.009 0.020 4.674 3.496 1870.214 1398.742 2.220 4.399 19.847 10.326 31 34 340 346 1.935787e+06 6.662650e+03 2.386107e+07 0.00000 1 None 33 2 73 79.369 342.948 0.045 0.032 3.638 3.496 1455.871 1398.754 2.990 4.189 26.728 9.834 77 81 340 346 1.177951e+06 6.897564e+03 2.213971e+07 0.00000 1 None 30 10 74 85.659 342.550 0.015 0.038 3.498 3.498 1399.635 1399.688 2.727 5.273 24.377 12.378 84 88 339 347 2.800237e+06 6.898598e+03 5.544332e+07 0.00000 1 None 30 10 75 96.714 343.503 0.071 0.606 3.251 3.492 1300.796 1397.451 2.546 8.368 22.761 19.644 95 98 339 347 4.651557e+05 6.719734e+03 8.406029e+06 0.00000 1 None 32 2 76 64.614 345.224 0.494 0.112 3.968 3.482 1587.790 1393.410 4.796 4.118 42.880 9.666 62 66 342 347 3.990923e+05 6.845842e+03 8.701960e+06 0.00000 1 None 29 4 77 74.367 345.326 0.118 0.436 3.750 3.482 1500.592 1393.173 3.272 8.677 29.255 20.368 73 76 339 347 5.225501e+05 6.643779e+03 1.620510e+07 0.00000 1 None 30 10 78 85.702 344.633 0.016 0.065 3.497 3.486 1399.247 1394.799 2.689 6.805 24.040 15.975 84 88 340 350 2.334576e+06 6.740834e+03 5.524900e+07 0.00000 1 None 30 10 79 33.060 349.097 0.059 0.054 4.673 3.460 1869.895 1384.320 2.320 2.957 20.743 6.943 32 34 347 350 3.515907e+05 6.931555e+03 2.936887e+06 0.00000 1 None 33 2 80 85.824 349.418 0.056 0.066 3.494 3.458 1398.161 1383.565 2.625 3.262 23.466 7.658 84 87 347 351 5.755669e+05 7.066959e+03 6.734659e+06 0.00000 1 None 30 10 81 73.944 349.754 0.228 0.128 3.760 3.456 1504.372 1382.776 2.879 2.628 25.737 6.170 74 74 349 350 1.424087e+05 6.900803e+03 2.592257e+05 0.00000 1 None 34 1 82 79.555 349.690 0.322 0.119 3.634 3.456 1454.204 1382.927 2.881 2.608 25.759 6.123 79 80 349 350 1.833720e+05 7.223570e+03 6.444919e+05 0.00000 1 None 35 1 83 96.641 349.960 0.466 0.097 3.253 3.455 1301.449 1382.292 3.149 2.400 28.158 5.634 96 97 350 350 1.263486e+05 6.965103e+03 2.356464e+05 0.00000 1 None 36 1 84 32.991 381.612 0.029 0.096 4.675 3.269 1870.511 1307.989 2.209 4.274 19.753 10.032 32 34 380 385 6.261036e+05 6.766987e+03 8.216306e+06 0.00000 1 None 37 3 85 79.389 381.739 0.082 0.079 3.638 3.268 1455.690 1307.692 2.662 3.831 23.798 8.993 78 81 380 385 5.310456e+05 6.929251e+03 8.427295e+06 0.00000 1 None 38 3 86 85.632 381.906 0.093 0.052 3.499 3.267 1399.880 1307.299 2.847 3.464 25.453 8.132 84 87 380 384 5.082957e+05 6.813314e+03 5.710613e+06 0.00000 1 None 39 3 87 96.762 381.614 0.045 0.086 3.250 3.269 1300.370 1307.985 2.574 4.269 23.016 10.022 95 98 380 385 7.116621e+05 6.787229e+03 1.180656e+07 0.00000 1 None 40 3 88 33.016 384.942 0.018 0.015 4.674 3.249 1870.284 1300.173 2.351 2.864 21.021 6.723 32 34 383 387 1.137604e+06 6.917710e+03 7.508780e+06 0.00000 1 None 37 3 89 79.365 385.008 0.047 0.016 3.639 3.249 1455.903 1300.017 2.788 2.762 24.925 6.484 78 81 383 387 1.000829e+06 7.038529e+03 8.134650e+06 0.00000 1 None 38 3 90 85.693 385.011 0.050 0.019 3.497 3.249 1399.327 1300.010 2.883 2.823 25.776 6.626 84 87 383 387 8.992276e+05 6.904808e+03 7.952813e+06 0.00000 1 None 39 3 91 96.787 384.980 0.024 0.011 3.249 3.249 1300.143 1300.083 2.733 2.766 24.438 6.492 95 99 383 387 1.433590e+06 6.887144e+03 1.191616e+07 0.00000 1 None 40 3 92 33.040 388.188 0.037 0.073 4.674 3.230 1870.074 1292.552 2.246 3.947 20.079 9.266 32 34 385 390 5.091167e+05 6.777486e+03 7.204135e+06 0.00000 1 None 37 3 93 79.383 388.208 0.092 0.112 3.638 3.230 1455.745 1292.506 2.637 4.410 23.573 10.352 78 81 385 390 4.619293e+05 7.003351e+03 8.081834e+06 0.00000 1 None 38 3 94 85.767 387.969 0.081 0.083 3.496 3.232 1398.668 1293.068 2.723 4.170 24.348 9.790 84 87 385 390 4.302215e+05 6.789051e+03 7.684868e+06 0.00000 1 None 39 3 95 96.809 388.257 0.044 0.067 3.249 3.230 1299.948 1292.392 2.582 4.099 23.080 9.623 95 98 385 390 6.789754e+05 6.821940e+03 1.147981e+07 0.00000 1 None 40 3