REMARK ROI 2D Peak Detection System, File: ./test.ft2 REMARK Detection Levels: -2.70823e+08 and 270822 REMARK Detection: X(+/-1) Y(+/-1) REMARK Interpolation: X(+/-1) Y(+/-1) REMARK Noise: 8392.46, 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: 85, Good Peaks: 85, Questionable Peaks: 0 REMARK Clusters: 50, Max Cluster Size: 7 REMARK ROI Spectral Axis Limits: DATA X_AXIS 1H 1 232 6.648ppm 1.883ppm DATA Y_AXIS 1H 1 821 6.702ppm 1.891ppm 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 11.077 47.094 0.003 0.009 6.440 6.431 2576.821 2573.445 2.135 4.534 17.623 10.645 9 12 44 50 4.812762e+06 6.466460e+03 4.041037e+07 0.00000 1 None 1 1 2 110.213 47.140 0.002 0.003 4.395 6.431 1758.682 2573.337 2.326 4.312 19.195 10.122 108 112 44 50 1.304644e+07 6.540341e+03 1.187636e+08 0.00000 1 None 2 2 3 130.383 47.415 0.056 0.079 3.979 6.430 1592.224 2572.692 2.682 4.118 22.132 9.666 129 131 46 49 7.688372e+05 6.744664e+03 5.849121e+06 0.00000 1 None 3 1 4 143.862 47.157 0.012 0.020 3.701 6.431 1480.980 2573.297 2.421 4.227 19.980 9.924 142 145 45 50 1.967784e+06 6.467576e+03 1.809390e+07 0.00000 1 None 4 1 5 190.129 47.165 0.086 0.022 2.747 6.431 1099.152 2573.279 5.686 3.824 46.928 8.977 188 192 45 49 1.424102e+06 6.304514e+03 2.039938e+07 0.00000 1 None 5 1 6 217.164 47.211 0.111 0.024 2.189 6.431 876.039 2573.170 6.113 3.789 50.450 8.896 215 220 45 49 1.349750e+06 6.326368e+03 2.091800e+07 0.00000 1 None 6 1 7 102.152 48.376 0.615 0.143 4.562 6.424 1825.208 2570.434 6.645 3.696 54.841 8.677 102 107 48 48 2.902396e+05 6.407321e+03 2.233864e+06 0.00000 1 None 2 2 8 90.263 320.250 0.027 0.021 4.807 4.829 1923.319 1932.208 2.420 2.885 19.971 6.772 89 91 318 322 1.079117e+06 6.790142e+03 1.291604e+07 0.00000 1 None 7 7 9 90.343 322.137 0.015 0.004 4.805 4.818 1922.658 1927.780 2.740 2.105 22.610 4.942 89 91 320 324 2.831855e+06 7.025130e+03 8.360412e+07 0.00000 1 None 7 7 10 43.412 324.723 0.121 0.039 5.773 4.803 2309.969 1921.708 2.367 2.001 19.536 4.698 43 44 325 325 3.377960e+05 7.852780e+03 6.104064e+05 0.00000 1 None 8 1 11 195.458 324.813 0.019 0.007 2.637 4.802 1055.178 1921.497 2.315 2.301 19.103 5.401 195 197 323 326 2.115840e+06 7.810389e+03 1.024912e+07 0.00000 1 None 9 1 12 208.424 324.619 0.280 0.042 2.370 4.803 948.168 1921.952 3.525 2.028 29.093 4.761 208 209 325 325 3.730147e+05 8.245145e+03 6.370048e+05 0.00000 1 None 10 1 13 51.457 326.475 0.317 0.067 5.607 4.792 2243.577 1917.597 3.136 2.162 25.880 5.075 52 52 326 326 3.221268e+05 8.523282e+03 2.781700e+05 0.00000 1 None 11 1 14 56.289 325.822 0.083 0.015 5.507 4.796 2203.700 1919.128 3.217 2.055 26.545 4.823 55 58 325 326 6.530392e+05 6.750712e+03 3.239561e+06 0.00000 1 None 12 1 15 65.989 326.148 0.069 0.016 5.307 4.794 2123.644 1918.364 3.856 2.415 31.820 5.668 64 69 325 327 7.920411e+05 6.638396e+03 8.488205e+06 0.00000 1 None 7 7 16 70.408 325.870 0.113 0.010 5.216 4.796 2087.175 1919.016 4.524 2.248 37.337 5.277 67 73 325 327 1.143982e+06 6.727988e+03 1.413955e+07 0.00000 1 None 7 7 17 87.472 325.781 0.009 0.001 4.864 4.796 1946.353 1919.226 3.724 2.337 30.733 5.485 84 90 324 327 1.064260e+07 6.805633e+03 5.514719e+08 0.00000 1 None 7 7 18 90.594 325.796 0.000 0.000 4.800 4.796 1920.590 1919.189 2.430 2.563 20.051 6.016 89 92 324 328 1.778965e+08 7.236686e+03 9.665386e+08 0.00000 1 None 7 7 19 220.229 325.717 0.048 0.023 2.126 4.797 850.749 1919.375 2.439 2.217 20.127 5.204 220 222 325 326 6.250527e+05 7.044738e+03 2.569743e+06 0.00000 1 None 13 2 20 221.241 325.867 0.655 0.017 2.105 4.796 842.397 1919.023 5.577 1.912 46.025 4.489 220 223 326 326 4.977088e+05 7.002007e+03 1.870172e+06 0.00000 1 None 13 2 21 229.921 325.907 0.043 0.086 1.926 4.796 770.760 1918.929 1.638 3.144 13.516 7.381 230 230 326 326 2.986535e+05 8.394609e+03 2.967632e+05 0.00000 1 None 14 1 22 213.348 327.088 0.149 0.040 2.268 4.789 907.532 1916.156 2.572 2.150 21.225 5.046 213 213 327 327 3.334706e+05 9.080167e+03 3.202712e+05 0.00000 1 None 15 1 23 164.721 328.013 0.329 0.030 3.271 4.783 1308.838 1913.984 3.111 1.866 25.674 4.380 164 164 328 328 3.382878e+05 8.748665e+03 3.019078e+05 0.00000 1 None 16 1 24 192.869 328.397 0.044 0.069 2.690 4.781 1076.542 1913.085 1.760 2.522 14.523 5.919 193 193 328 329 3.888725e+05 8.798945e+03 6.483424e+05 0.00000 1 None 17 1 25 91.344 331.841 0.085 0.034 4.784 4.761 1914.401 1905.000 2.356 2.275 19.442 5.341 91 91 330 332 4.328360e+05 8.052910e+03 1.954597e+06 0.00000 1 None 7 7 26 11.070 394.850 0.002 0.005 6.440 4.391 2576.877 1757.085 2.139 4.269 17.652 10.022 9 12 392 398 7.238148e+06 6.494000e+03 6.541513e+07 0.00000 1 None 18 1 27 110.246 394.943 0.007 0.010 4.395 4.391 1758.410 1756.867 2.330 4.122 19.231 9.678 109 112 392 398 3.460959e+06 6.579062e+03 3.309943e+07 0.00000 1 None 19 1 28 130.344 394.984 0.025 0.017 3.980 4.390 1592.542 1756.770 2.828 3.871 23.335 9.086 129 132 392 398 1.723011e+06 6.574837e+03 1.966475e+07 0.00000 1 None 20 1 29 143.855 394.899 0.011 0.015 3.701 4.391 1481.040 1756.970 2.443 4.060 20.160 9.532 142 145 392 398 2.213762e+06 6.471452e+03 2.290096e+07 0.00000 1 None 21 1 30 190.082 394.973 0.055 0.014 2.748 4.391 1099.541 1756.796 5.316 3.705 43.872 8.698 187 192 392 398 1.828456e+06 6.295400e+03 3.207899e+07 0.00000 1 None 22 1 31 217.258 394.965 0.100 0.014 2.187 4.391 875.268 1756.816 6.242 3.707 51.511 8.702 215 220 392 398 1.799456e+06 6.280349e+03 3.293910e+07 0.00000 1 None 23 1 32 110.233 464.053 0.018 0.023 4.395 3.985 1758.517 1594.630 2.325 3.923 19.189 9.210 109 111 461 467 1.367234e+06 6.579418e+03 1.594663e+07 0.00000 1 None 24 3 33 130.290 463.978 0.012 0.009 3.981 3.986 1592.987 1594.807 2.812 3.934 23.206 9.234 128 132 461 467 3.243545e+06 6.504818e+03 5.154691e+07 0.00000 1 None 25 3 34 143.798 464.075 0.021 0.023 3.703 3.985 1481.514 1594.580 2.451 3.761 20.231 8.830 143 145 461 467 1.243071e+06 6.533202e+03 1.488985e+07 0.00000 1 None 26 2 35 190.126 464.157 0.045 0.011 2.747 3.985 1099.177 1594.387 5.400 3.638 44.562 8.539 187 192 461 467 2.451132e+06 6.314227e+03 5.450280e+07 0.00000 1 None 27 3 36 217.210 463.905 0.051 0.012 2.188 3.986 875.661 1594.978 5.257 3.726 43.387 8.748 215 220 461 467 2.327129e+06 6.305185e+03 5.464286e+07 0.00000 1 None 28 2 37 110.242 466.740 0.018 0.023 4.395 3.969 1758.444 1588.322 2.358 3.513 19.460 8.246 109 111 464 470 1.442194e+06 6.721623e+03 1.592420e+07 0.00000 1 None 24 3 38 130.333 466.708 0.013 0.009 3.980 3.970 1592.634 1588.399 2.876 3.347 23.732 7.857 128 132 465 469 3.449164e+06 6.691404e+03 3.713850e+07 0.00000 1 None 25 3 39 143.819 466.801 0.019 0.022 3.702 3.969 1481.342 1588.180 2.464 3.490 20.333 8.193 143 145 465 469 1.327988e+06 6.610319e+03 1.124993e+07 0.00000 1 None 26 2 40 190.172 466.592 0.055 0.013 2.746 3.970 1098.800 1588.671 5.771 3.183 47.625 7.473 187 192 465 469 2.580733e+06 6.527883e+03 3.961343e+07 0.00000 1 None 27 3 41 217.252 466.804 0.053 0.009 2.188 3.969 875.317 1588.174 5.421 3.120 44.739 7.323 215 220 465 469 2.574804e+06 6.366917e+03 4.007532e+07 0.00000 1 None 28 2 42 110.260 469.505 0.045 0.078 4.394 3.953 1758.289 1581.832 2.358 3.557 19.460 8.350 110 111 467 471 6.478715e+05 6.950038e+03 7.025407e+06 0.00000 1 None 24 3 43 130.385 469.518 0.034 0.028 3.979 3.953 1592.208 1581.802 2.903 3.326 23.955 7.807 129 132 468 471 1.570540e+06 6.935803e+03 1.693163e+07 0.00000 1 None 25 3 44 190.505 469.706 0.055 0.030 2.739 3.952 1096.052 1581.360 2.850 3.224 23.516 7.568 189 192 468 471 1.070539e+06 6.993031e+03 1.332809e+07 0.00000 1 None 27 3 45 11.068 509.914 0.023 0.048 6.440 3.716 2576.897 1486.971 1.778 3.477 14.673 8.162 11 11 509 512 5.273689e+05 6.724220e+03 1.666887e+06 0.00000 1 None 29 2 46 110.207 511.016 0.014 0.031 4.395 3.710 1758.725 1484.385 2.267 5.053 18.710 11.862 109 111 509 515 1.612576e+06 6.486749e+03 1.968052e+07 0.00000 1 None 30 2 47 130.356 511.176 0.032 0.038 3.980 3.709 1592.443 1484.010 2.765 4.595 22.816 10.787 129 132 509 514 1.316120e+06 6.574275e+03 1.621177e+07 0.00000 1 None 31 1 48 143.868 511.116 0.008 0.018 3.701 3.709 1480.930 1484.149 2.441 5.038 20.144 11.827 142 145 509 515 2.891502e+06 6.393099e+03 4.116193e+07 0.00000 1 None 32 2 49 190.197 511.148 0.036 0.013 2.746 3.709 1098.591 1484.076 5.292 4.511 43.671 10.589 187 192 509 514 3.258249e+06 6.295930e+03 6.501243e+07 0.00000 1 None 33 2 50 217.228 511.047 0.053 0.011 2.188 3.710 875.513 1484.312 6.264 4.427 51.695 10.392 215 220 509 514 3.264072e+06 6.288239e+03 6.789520e+07 0.00000 1 None 34 2 51 11.090 514.123 0.023 0.281 6.440 3.692 2576.714 1477.092 1.560 7.312 12.876 17.165 11 11 509 515 3.929078e+05 6.406992e+03 2.789190e+06 0.00000 1 None 29 2 52 110.226 514.654 0.017 0.049 4.395 3.688 1758.572 1475.844 2.275 4.735 18.773 11.116 109 111 512 517 1.396690e+06 6.602068e+03 1.494363e+07 0.00000 1 None 30 2 53 143.910 514.594 0.009 0.031 3.700 3.689 1480.587 1475.987 2.444 4.906 20.173 11.516 142 145 512 517 2.506732e+06 6.470423e+03 3.181265e+07 0.00000 1 None 32 2 54 190.244 514.605 0.054 0.023 2.745 3.689 1098.209 1475.959 5.682 4.467 46.894 10.487 187 192 512 517 2.793005e+06 6.392749e+03 5.968604e+07 0.00000 1 None 33 2 55 217.187 514.741 0.048 0.017 2.189 3.688 875.856 1475.641 5.747 4.397 47.425 10.321 215 220 512 517 2.870023e+06 6.336765e+03 6.267084e+07 0.00000 1 None 34 2 56 110.219 669.245 0.027 0.459 4.395 2.781 1758.627 1112.941 2.177 11.685 17.970 27.431 109 111 667 671 7.536779e+05 6.407964e+03 6.760943e+06 0.00000 1 None 35 1 57 143.875 669.253 0.011 0.246 3.701 2.781 1480.872 1112.922 2.343 13.756 19.337 32.292 142 145 667 672 1.916423e+06 6.304497e+03 2.146782e+07 0.00000 1 None 36 1 58 189.960 669.167 0.046 0.111 2.750 2.782 1100.552 1113.125 5.399 10.703 44.555 25.125 187 192 667 672 2.205954e+06 6.263483e+03 4.188203e+07 0.00000 1 None 37 1 59 130.355 669.563 0.033 0.060 3.980 2.780 1592.454 1112.195 2.782 4.743 22.959 11.135 129 132 667 672 1.352402e+06 6.676197e+03 1.627990e+07 0.00000 1 None 38 1 60 216.903 669.715 0.067 0.034 2.195 2.779 878.195 1111.839 5.354 4.538 44.185 10.653 215 220 667 672 1.574720e+06 6.349188e+03 2.958720e+07 0.00000 1 None 39 1 61 110.214 676.400 0.025 0.074 4.395 2.739 1758.670 1096.145 2.248 4.489 18.549 10.537 109 111 675 679 9.155156e+05 6.634812e+03 8.131754e+06 0.00000 1 None 40 1 62 130.344 676.314 0.027 0.027 3.980 2.740 1592.546 1096.346 2.804 3.878 23.140 9.104 129 132 674 679 1.631591e+06 6.653452e+03 1.897729e+07 0.00000 1 None 41 1 63 143.879 676.369 0.010 0.024 3.701 2.740 1480.844 1096.218 2.403 4.307 19.833 10.111 142 145 674 679 2.368328e+06 6.525558e+03 2.532525e+07 0.00000 1 None 42 1 64 217.020 676.384 0.068 0.024 2.192 2.740 877.228 1096.182 5.901 3.823 48.700 8.976 215 220 674 679 1.852205e+06 6.407765e+03 3.462982e+07 0.00000 1 None 43 1 65 190.058 677.711 0.038 0.986 2.748 2.732 1099.737 1093.068 5.202 22.317 42.930 52.389 187 192 674 680 2.482078e+06 6.277026e+03 4.834809e+07 0.00000 1 None 44 1 66 110.243 765.030 0.034 0.026 4.395 2.219 1758.429 888.085 2.368 3.160 19.542 7.419 109 111 764 767 7.727058e+05 6.704773e+03 5.245048e+06 0.00000 1 None 45 2 67 130.332 765.044 0.032 0.013 3.980 2.219 1592.645 888.052 2.899 3.010 23.928 7.066 129 132 763 767 1.421050e+06 6.629010e+03 1.302018e+07 0.00000 1 None 46 4 68 143.873 765.033 0.012 0.009 3.701 2.219 1480.892 888.078 2.513 3.155 20.736 7.406 142 145 763 767 2.129452e+06 6.556355e+03 1.768933e+07 0.00000 1 None 47 4 69 190.306 765.116 0.110 0.011 2.743 2.219 1097.691 887.883 5.864 2.891 48.395 6.786 187 192 763 767 1.580672e+06 6.347302e+03 2.256101e+07 0.00000 1 None 48 4 70 217.194 765.000 0.295 0.009 2.189 2.220 875.791 888.157 10.872 2.832 89.726 6.647 215 220 763 767 1.667782e+06 6.296510e+03 2.580758e+07 0.00000 1 None 49 4 71 110.256 768.041 0.035 0.029 4.394 2.202 1758.323 881.016 2.348 3.291 19.379 7.726 109 111 766 769 7.577364e+05 6.714177e+03 5.256415e+06 0.00000 1 None 45 2 72 130.333 768.040 0.034 0.016 3.980 2.202 1592.637 881.019 2.896 3.235 23.904 7.595 129 132 766 770 1.329008e+06 6.622524e+03 1.336949e+07 0.00000 1 None 46 4 73 143.885 768.035 0.012 0.011 3.701 2.202 1480.796 881.031 2.501 3.376 20.640 7.925 142 145 766 770 1.978771e+06 6.529579e+03 1.792768e+07 0.00000 1 None 47 4 74 190.515 768.068 0.207 0.011 2.739 2.202 1095.969 880.954 6.900 3.089 56.942 7.250 187 192 766 770 1.624922e+06 6.372029e+03 2.507219e+07 0.00000 1 None 48 4 75 217.067 768.129 0.114 0.011 2.191 2.201 876.841 880.812 7.385 3.005 60.943 7.055 215 220 766 770 1.708698e+06 6.329159e+03 2.730851e+07 0.00000 1 None 49 4 76 110.245 772.675 0.039 0.082 4.395 2.175 1758.418 870.140 2.261 4.111 18.659 9.651 110 111 772 776 6.210827e+05 6.683563e+03 4.963734e+06 0.00000 1 None 50 2 77 130.333 772.640 0.038 0.041 3.980 2.175 1592.636 870.220 2.819 3.842 23.265 9.018 129 132 770 776 1.146141e+06 6.661879e+03 1.659207e+07 0.00000 1 None 46 4 78 143.872 772.615 0.013 0.032 3.701 2.175 1480.902 870.279 2.436 4.164 20.104 9.774 142 145 770 776 1.749640e+06 6.543522e+03 2.295325e+07 0.00000 1 None 47 4 79 190.389 772.652 0.111 0.032 2.742 2.175 1097.008 870.193 4.971 3.778 41.021 8.869 188 192 770 776 1.326814e+06 6.474664e+03 2.752793e+07 0.00000 1 None 48 4 80 217.643 772.654 0.085 0.025 2.180 2.175 872.091 870.189 4.697 3.560 38.761 8.357 215 220 770 776 1.483000e+06 6.477216e+03 3.471725e+07 0.00000 1 None 49 4 81 110.248 775.754 0.041 0.038 4.395 2.157 1758.392 862.912 2.363 3.037 19.504 7.129 110 111 774 777 6.588342e+05 6.840239e+03 3.557618e+06 0.00000 1 None 50 2 82 130.369 775.766 0.043 0.019 3.980 2.156 1592.340 862.883 2.918 2.909 24.084 6.829 129 132 774 777 1.162564e+06 6.768010e+03 9.836368e+06 0.00000 1 None 46 4 83 143.888 775.736 0.014 0.014 3.701 2.157 1480.771 862.953 2.504 3.077 20.666 7.224 142 145 774 777 1.765078e+06 6.666748e+03 1.349185e+07 0.00000 1 None 47 4 84 190.367 775.724 0.114 0.016 2.742 2.157 1097.193 862.982 5.120 2.815 42.253 6.609 188 192 774 777 1.344183e+06 6.512429e+03 1.597401e+07 0.00000 1 None 48 4 85 217.548 775.866 0.101 0.010 2.181 2.156 872.874 862.649 4.955 2.775 40.889 6.513 215 220 774 778 1.590678e+06 6.487846e+03 2.277388e+07 0.00000 1 None 49 4