REMARK ROI 2D Peak Detection System, File: ./test.ft2 REMARK Detection Levels: -1.71157e+08 and 171157 REMARK Detection: X(+/-1) Y(+/-1) REMARK Interpolation: X(+/-1) Y(+/-1) REMARK Noise: 28526.1, 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: 96, Good Peaks: 96, Questionable Peaks: 0 REMARK Clusters: 64, Max Cluster Size: 9 REMARK ROI Spectral Axis Limits: DATA X_AXIS 1H 1 225 9.592ppm 3.817ppm DATA Y_AXIS 1H 1 998 9.599ppm 3.750ppm 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 12.593 54.825 0.082 0.058 9.293 9.283 3718.290 3714.464 2.253 2.942 23.237 6.907 11 13 53 57 1.345603e+06 2.454258e+04 7.722523e+06 0.00000 1 None 1 1 2 31.216 86.210 0.209 0.526 8.813 9.099 3526.178 3640.786 2.459 5.280 25.371 12.395 30 32 84 89 4.256158e+05 2.172627e+04 5.005596e+06 0.00000 1 None 2 2 3 31.258 87.895 0.218 0.215 8.811 9.089 3525.747 3636.830 2.534 3.772 26.140 8.856 30 32 85 89 4.793151e+05 2.259052e+04 4.643190e+06 0.00000 1 None 2 2 4 19.872 134.833 0.087 0.117 9.105 8.814 3643.200 3526.643 2.169 3.317 22.371 7.788 19 21 133 137 7.359165e+05 2.289626e+04 5.148223e+06 0.00000 1 None 3 2 5 19.871 138.146 0.082 0.098 9.105 8.794 3643.216 3518.866 2.179 3.194 22.480 7.497 19 21 136 140 7.893743e+05 2.290031e+04 5.246756e+06 0.00000 1 None 3 2 6 46.653 204.047 0.046 0.022 8.415 8.408 3366.934 3364.163 2.331 2.628 24.045 6.168 45 48 202 206 2.327668e+06 2.417056e+04 1.282732e+07 0.00000 1 None 4 1 7 55.755 241.523 0.272 0.470 8.180 8.188 3273.035 3276.189 2.361 3.453 24.354 8.105 55 56 240 244 3.588618e+05 2.379823e+04 3.487796e+06 0.00000 1 None 5 3 8 55.745 244.044 0.158 0.104 8.180 8.173 3273.138 3270.271 2.495 3.100 25.739 7.278 54 57 242 246 6.450951e+05 2.294996e+04 5.524994e+06 0.00000 1 None 5 3 9 55.694 246.761 0.347 0.393 8.181 8.157 3273.672 3263.892 2.520 3.788 25.996 8.892 55 56 244 248 3.296507e+05 2.304702e+04 3.542213e+06 0.00000 1 None 5 3 10 57.617 251.829 0.136 0.066 8.132 8.127 3253.831 3251.995 2.376 2.569 24.515 6.030 57 58 251 253 8.895815e+05 2.456501e+04 3.528956e+06 0.00000 1 None 6 1 11 136.831 599.461 0.177 0.708 6.090 6.088 2436.667 2435.927 2.216 4.777 22.862 11.213 136 137 598 601 3.938870e+05 2.215014e+04 2.262404e+06 0.00000 1 None 7 1 12 180.763 599.536 0.128 0.434 4.957 6.087 1983.465 2435.751 2.398 4.964 24.736 11.654 180 182 597 602 7.158719e+05 2.249908e+04 6.659930e+06 0.00000 1 None 8 1 13 194.549 600.159 0.447 0.431 4.602 6.084 1841.249 2434.288 2.516 4.017 25.959 9.430 194 195 598 601 3.136122e+05 2.323039e+04 1.949551e+06 0.00000 1 None 9 1 14 201.195 610.451 0.222 0.326 4.430 6.023 1772.695 2410.127 3.244 4.382 33.460 10.286 200 203 608 613 7.095154e+05 2.230260e+04 9.801315e+06 0.00000 1 None 10 1 15 139.306 611.056 0.269 0.574 6.026 6.020 2411.135 2408.707 2.418 5.571 24.941 13.079 139 140 609 612 3.742593e+05 2.227239e+04 2.333202e+06 0.00000 1 None 11 1 16 194.296 790.498 0.430 0.739 4.608 4.967 1843.867 1987.465 2.468 3.757 25.456 8.820 194 195 790 793 2.628965e+05 2.352881e+04 1.724367e+06 0.00000 1 None 12 2 17 136.850 792.154 0.190 0.895 6.089 4.957 2436.472 1983.579 2.102 6.138 21.687 14.409 136 137 790 794 3.074996e+05 2.163289e+04 2.141899e+06 0.00000 1 None 13 1 18 194.697 792.882 0.392 0.845 4.598 4.953 1839.725 1981.870 2.320 5.194 23.938 12.193 194 195 790 794 2.396327e+05 2.272064e+04 2.088014e+06 0.00000 1 None 12 2 19 1.714 799.269 0.515 0.837 9.573 4.916 3830.517 1966.877 2.422 4.184 24.981 9.821 2 2 799 800 1.949090e+05 2.264604e+04 3.629304e+05 0.00001 1 None 14 1 20 174.644 808.008 0.532 0.673 5.115 4.864 2046.590 1946.361 2.370 4.366 24.454 10.248 175 175 808 811 1.946755e+05 2.218461e+04 7.605496e+05 0.00001 1 None 15 5 21 1.907 815.973 0.062 0.023 9.568 4.818 3828.525 1927.665 2.376 1.989 24.509 4.669 0 4 815 817 1.127785e+06 2.173095e+04 4.588754e+06 0.00000 1 None 16 1 22 11.000 815.796 44.257 0.070 9.334 4.819 3734.727 1928.080 14.089 1.684 145.338 3.954 9 12 815 816 3.320031e+05 2.261773e+04 1.889091e+06 0.00000 1 None 17 1 23 24.933 815.962 0.284 0.114 8.975 4.818 3590.995 1927.689 2.047 1.776 21.120 4.168 25 25 816 816 2.550705e+05 3.082603e+04 2.542954e+05 0.00000 1 None 18 1 24 32.154 815.917 0.515 0.164 8.788 4.818 3516.509 1927.796 2.233 1.782 23.040 4.183 32 32 816 816 2.026100e+05 3.387998e+04 1.998369e+05 0.00000 1 None 19 1 25 123.523 816.205 0.684 0.113 6.433 4.816 2573.954 1927.120 3.153 2.129 32.531 4.998 123 125 816 817 3.967522e+05 2.651879e+04 1.333203e+06 0.00000 1 None 20 1 26 149.946 815.858 0.342 0.062 5.752 4.818 2301.373 1927.933 3.101 1.746 31.995 4.098 149 151 815 816 3.871053e+05 2.435528e+04 1.267627e+06 0.00000 1 None 21 1 27 177.750 815.937 0.619 0.044 5.035 4.818 2014.555 1927.749 3.904 1.601 40.277 3.759 175 179 816 816 4.034863e+05 2.270663e+04 2.475013e+06 0.00000 1 None 15 5 28 47.196 816.485 0.296 0.268 8.401 4.815 3361.337 1926.461 2.230 2.415 23.001 5.670 47 48 816 817 4.175660e+05 3.443982e+04 9.899739e+05 0.00000 1 None 22 1 29 68.278 817.238 0.090 0.062 7.857 4.810 3143.854 1924.693 2.069 2.369 21.344 5.561 68 69 816 818 9.048250e+05 2.553056e+04 2.988105e+06 0.00000 1 None 23 1 30 77.185 816.689 0.921 0.179 7.627 4.813 3051.966 1925.984 3.449 1.951 35.581 4.581 77 78 817 817 2.242337e+05 2.540488e+04 3.908237e+05 0.00000 1 None 24 1 31 83.974 817.218 0.124 0.091 7.452 4.810 2981.937 1924.740 2.079 2.216 21.450 5.202 84 85 817 818 4.857702e+05 2.475165e+04 9.576570e+05 0.00000 1 None 25 2 32 89.833 817.602 0.371 0.312 7.301 4.808 2921.490 1923.841 2.474 2.475 25.517 5.810 89 90 817 818 3.471032e+05 2.914756e+04 1.002305e+06 0.00000 1 None 26 2 33 92.721 817.020 0.287 0.061 7.227 4.811 2891.702 1925.205 2.435 1.760 25.123 4.132 92 93 817 817 4.695263e+05 3.063395e+04 7.113236e+05 0.00000 1 None 26 2 35 118.000 816.996 1.558 0.045 6.575 4.812 2630.926 1925.262 4.396 1.749 45.353 4.106 117 119 816 817 6.875714e+05 2.964581e+04 1.899647e+06 0.00000 1 None 27 2 36 132.995 817.013 0.173 0.067 6.189 4.811 2476.242 1925.223 2.165 1.834 22.333 4.306 132 133 817 817 4.428682e+05 2.983850e+04 6.147216e+05 0.00000 1 None 28 1 37 135.613 816.639 0.769 0.379 6.121 4.814 2449.229 1926.100 2.230 2.166 23.000 5.084 136 136 817 817 2.002578e+05 3.402365e+04 1.794782e+05 0.00000 1 None 29 1 38 142.572 816.829 0.554 0.040 5.942 4.813 2377.440 1925.655 3.785 1.716 39.047 4.029 142 146 816 817 6.253418e+05 2.485910e+04 3.325196e+06 0.00000 1 None 30 2 39 174.911 816.874 0.035 0.037 5.108 4.812 2043.839 1925.549 2.017 2.747 20.803 6.448 174 176 815 818 1.560147e+06 2.353481e+04 6.848878e+06 0.00000 1 None 15 5 41 196.568 816.797 1.900 0.036 4.550 4.813 1820.425 1925.729 0.000 1.850 0.000 4.343 197 197 816 817 7.918629e+05 2.369594e+04 1.259140e+06 0.00000 1 None 31 9 42 198.134 817.009 0.131 0.046 4.509 4.811 1804.273 1925.232 2.952 2.498 30.455 5.863 196 199 815 818 9.261348e+05 2.322482e+04 6.391170e+06 0.00000 1 None 31 9 43 215.592 816.795 0.364 0.041 4.059 4.813 1624.179 1925.734 3.480 1.889 35.903 4.435 214 217 816 817 8.183908e+05 2.603468e+04 3.397857e+06 0.00000 1 None 31 9 44 220.963 816.974 1.927 0.045 3.921 4.812 1568.773 1925.313 4.925 1.761 50.802 4.134 219 222 816 817 5.894232e+05 2.658153e+04 2.251138e+06 0.00000 1 None 31 9 45 63.728 818.000 0.129 0.612 7.974 4.806 3190.795 1922.905 1.677 3.560 17.304 8.358 64 64 817 818 6.593970e+05 3.191281e+04 1.150976e+06 0.00000 1 None 32 1 46 105.354 818.299 0.011 0.005 6.901 4.804 2761.378 1922.204 2.548 2.476 26.284 5.812 103 107 817 820 1.270103e+07 2.427510e+04 6.520086e+07 0.00000 1 None 33 2 47 145.854 818.000 0.163 0.463 5.857 4.806 2343.582 1922.905 1.992 3.254 20.553 7.638 145 146 817 818 5.698895e+05 2.783564e+04 1.853304e+06 0.00000 1 None 30 2 48 155.239 817.814 0.145 0.025 5.615 4.807 2246.773 1923.341 3.045 1.805 31.411 4.238 154 156 817 818 1.102390e+06 2.401133e+04 3.882591e+06 0.00000 1 None 34 1 49 160.806 818.046 0.129 0.030 5.472 4.805 2189.339 1922.797 2.473 1.759 25.516 4.128 160 162 818 819 8.215358e+05 2.656764e+04 1.855954e+06 0.00000 1 None 35 1 50 167.169 817.571 0.152 0.135 5.307 4.808 2123.698 1923.913 2.131 2.333 21.984 5.476 166 168 817 818 5.295292e+05 2.628694e+04 1.789848e+06 0.00000 1 None 36 1 52 203.347 818.033 0.165 0.021 4.375 4.805 1750.495 1922.827 3.240 1.928 33.427 4.525 202 205 817 819 1.333329e+06 2.496826e+04 6.669284e+06 0.00000 1 None 31 9 53 206.777 818.283 0.451 0.050 4.286 4.804 1715.107 1922.242 4.705 2.093 48.538 4.912 204 209 818 819 8.541841e+05 2.433843e+04 7.415090e+06 0.00000 1 None 31 9 54 212.166 818.556 0.059 0.058 4.147 4.802 1659.524 1921.599 2.252 2.469 23.230 5.796 211 213 818 819 1.663305e+06 2.729466e+04 6.097510e+06 0.00000 1 None 31 9 55 51.036 819.129 0.092 0.046 8.302 4.799 3321.715 1920.255 2.064 1.918 21.296 4.503 50 52 819 820 7.622644e+05 2.955601e+04 1.600612e+06 0.00000 1 None 37 1 56 81.041 819.266 0.134 0.043 7.528 4.798 3012.187 1919.933 2.813 1.948 29.014 4.574 80 82 819 820 9.362736e+05 2.751596e+04 3.081468e+06 0.00000 1 None 25 2 57 98.068 819.009 0.113 0.029 7.089 4.800 2836.541 1920.536 2.652 1.853 27.362 4.351 97 100 818 820 8.119656e+05 2.321300e+04 3.535863e+06 0.00000 1 None 33 2 58 115.586 818.760 0.225 0.058 6.637 4.801 2655.833 1921.121 2.550 2.115 26.304 4.964 115 116 818 820 1.003005e+06 3.063043e+04 3.166053e+06 0.00000 1 None 27 2 59 170.212 818.876 0.172 0.054 5.229 4.801 2092.316 1920.848 2.272 1.829 23.435 4.294 170 172 818 819 5.383241e+05 2.658394e+04 8.886255e+05 0.00000 1 None 15 5 60 186.869 818.676 0.001 0.001 4.800 4.802 1920.484 1921.319 2.241 2.746 23.117 6.445 185 189 817 821 1.330711e+08 2.385027e+04 6.740970e+08 0.00000 1 None 38 4 61 217.923 819.000 0.162 90.753 3.999 4.800 1600.130 1920.558 0.000 16.702 0.000 39.207 218 218 818 819 2.957956e+05 3.175236e+04 5.847286e+05 0.00000 1 None 31 9 62 39.497 820.332 0.327 0.083 8.599 4.792 3440.755 1917.432 2.622 2.016 27.045 4.732 39 41 820 821 6.322819e+05 2.811882e+04 2.259418e+06 0.00000 1 None 39 1 63 45.444 820.407 0.442 0.204 8.446 4.792 3379.403 1917.254 2.313 2.195 23.862 5.152 45 46 820 821 4.055062e+05 3.352393e+04 1.086054e+06 0.00000 1 None 40 1 64 70.589 820.477 0.169 0.052 7.797 4.791 3120.009 1917.090 2.892 2.209 29.835 5.185 70 72 820 822 1.340344e+06 2.667091e+04 6.808175e+06 0.00000 1 None 41 1 65 129.562 820.177 1.003 0.137 6.277 4.793 2511.654 1917.795 2.752 1.761 28.393 4.134 129 131 820 820 2.755504e+05 3.259132e+04 6.436842e+05 0.00000 1 None 42 2 66 130.593 820.358 0.574 0.260 6.250 4.792 2501.018 1917.371 2.267 2.145 23.383 5.036 129 131 820 821 2.307582e+05 2.749635e+04 1.048197e+06 0.00000 1 None 42 2 67 137.362 819.562 0.586 0.409 6.076 4.797 2431.188 1919.239 2.452 2.654 25.294 6.230 137 137 820 820 3.558254e+05 3.897314e+04 3.239997e+05 0.00000 1 None 43 1 68 148.846 820.093 0.173 0.068 5.780 4.793 2312.719 1917.991 2.097 1.843 21.628 4.326 148 149 820 820 5.205381e+05 3.329043e+04 6.931191e+05 0.00000 1 None 44 1 69 172.176 819.611 0.178 0.110 5.178 4.796 2072.057 1919.124 2.379 2.243 24.537 5.266 172 173 819 820 6.556498e+05 3.054428e+04 1.632441e+06 0.00000 1 None 15 5 70 200.210 819.606 0.169 0.093 4.456 4.796 1782.855 1919.136 2.670 2.410 27.546 5.658 200 201 819 820 7.955459e+05 2.654893e+04 2.380221e+06 0.00000 1 None 31 9 71 58.348 821.037 0.642 0.155 8.113 4.788 3246.286 1915.776 2.583 2.333 26.647 5.477 58 59 821 821 3.472156e+05 2.831794e+04 6.031134e+05 0.00000 1 None 45 1 72 124.822 820.922 0.347 0.117 6.399 4.789 2560.552 1916.047 2.153 1.797 22.207 4.218 125 125 821 821 2.204764e+05 2.588312e+04 2.166609e+05 0.00009 1 None 46 1 73 177.201 821.073 0.485 0.144 5.049 4.788 2020.213 1915.692 2.218 1.765 22.880 4.144 177 177 821 821 2.162055e+05 3.234823e+04 2.119628e+05 0.00000 1 None 47 1 74 179.646 821.024 0.789 0.090 4.986 4.788 1994.991 1915.805 2.806 1.568 28.944 3.682 179 180 821 821 2.625013e+05 3.134164e+04 4.260947e+05 0.00000 1 None 48 1 75 104.705 822.182 0.372 0.125 6.918 4.781 2768.079 1913.089 2.244 1.915 23.151 4.495 104 105 822 822 3.166727e+05 3.038346e+04 4.857252e+05 0.00000 1 None 49 1 76 186.603 826.605 0.350 0.315 4.806 4.755 1923.228 1902.706 2.666 3.384 27.498 7.944 186 188 825 829 4.387912e+05 2.364726e+04 4.235722e+06 0.00000 1 None 38 4 77 186.591 828.252 0.427 1.861 4.807 4.746 1923.347 1898.838 2.333 5.129 24.063 12.040 186 187 824 831 2.886658e+05 2.438334e+04 5.305364e+06 0.00000 1 None 38 4 78 186.715 830.695 0.435 0.547 4.804 4.731 1922.067 1893.103 2.353 3.479 24.277 8.167 187 187 829 831 2.252814e+05 2.335392e+04 6.723064e+05 0.00000 1 None 38 4 79 204.120 852.185 0.228 0.468 4.355 4.605 1742.526 1842.657 2.173 4.045 22.412 9.496 204 205 851 854 2.702308e+05 2.202262e+04 1.462453e+06 0.00000 1 None 50 1 80 180.578 853.048 0.423 0.285 4.962 4.600 1985.377 1840.630 2.693 3.780 27.780 8.874 180 181 851 855 3.629987e+05 2.296555e+04 2.513748e+06 0.00000 1 None 51 1 81 199.167 871.992 0.099 0.111 4.483 4.489 1793.613 1796.159 2.251 3.449 23.225 8.097 198 201 870 874 7.155606e+05 2.229552e+04 5.544016e+06 0.00000 1 None 52 2 82 202.353 872.168 1.136 0.323 4.400 4.488 1760.750 1795.744 3.942 3.305 40.668 7.758 199 203 871 873 2.548846e+05 2.178157e+04 4.871776e+06 0.00000 1 None 52 2 83 206.049 871.663 0.351 0.473 4.305 4.491 1722.617 1796.931 2.612 3.420 26.942 8.029 206 206 871 872 2.487428e+05 2.260272e+04 4.604090e+05 0.00000 1 None 53 1 84 209.975 872.359 0.261 0.457 4.204 4.487 1682.119 1795.298 2.425 3.537 25.012 8.304 209 210 871 873 2.863609e+05 2.267087e+04 1.181038e+06 0.00000 1 None 54 1 85 139.380 878.831 0.303 0.318 6.024 4.449 2410.368 1780.105 2.420 3.843 24.969 9.021 139 140 877 882 3.834175e+05 2.295409e+04 3.171959e+06 0.00000 1 None 55 1 86 201.714 879.117 0.450 0.340 4.417 4.447 1767.340 1779.432 3.490 4.660 36.000 10.939 200 203 877 881 4.480422e+05 2.174877e+04 6.190322e+06 0.00000 1 None 56 1 87 139.439 887.055 0.243 0.179 6.022 4.401 2409.765 1760.798 2.486 3.637 25.643 8.537 139 140 885 889 5.572114e+05 2.342162e+04 3.619013e+06 0.00000 1 None 57 1 88 202.130 887.161 0.484 0.210 4.406 4.400 1763.049 1760.549 4.047 3.560 41.753 8.357 199 204 886 890 4.383033e+05 2.149079e+04 7.304145e+06 0.00000 1 None 58 1 89 210.816 893.169 0.362 0.920 4.182 4.365 1673.450 1746.445 2.465 5.365 25.431 12.595 210 211 892 894 2.379711e+05 2.202388e+04 1.170733e+06 0.00000 1 None 59 1 90 194.577 893.503 0.374 1.317 4.601 4.363 1840.961 1745.660 2.286 5.218 23.585 12.250 194 195 893 896 3.068865e+05 2.387558e+04 1.851541e+06 0.00000 1 None 60 1 91 206.972 894.249 0.209 1.107 4.281 4.358 1713.098 1743.910 2.266 6.222 23.371 14.606 206 207 892 896 2.961345e+05 2.179899e+04 1.994238e+06 0.00000 1 None 61 1 92 206.918 900.130 0.407 0.761 4.283 4.324 1713.661 1730.104 2.758 5.000 28.452 11.739 206 207 899 904 2.300809e+05 2.162325e+04 2.447854e+06 0.00000 1 None 62 2 93 210.086 903.368 0.148 0.527 4.201 4.305 1680.974 1722.504 2.251 4.693 23.220 11.016 209 211 901 906 4.374089e+05 2.212759e+04 4.374080e+06 0.00000 1 None 63 2 94 206.143 905.694 0.254 0.604 4.303 4.291 1721.652 1717.043 2.966 5.458 30.597 12.813 204 207 903 909 4.607744e+05 2.173761e+04 7.185882e+06 0.00000 1 None 62 2 95 210.799 907.690 0.338 0.648 4.183 4.279 1673.625 1712.358 2.665 4.568 27.492 10.725 210 212 905 909 3.053314e+05 2.182052e+04 3.244390e+06 0.00000 1 None 63 2 96 206.355 920.444 0.267 0.434 4.297 4.205 1719.459 1682.416 2.554 4.064 26.349 9.541 205 207 918 923 4.857479e+05 2.319866e+04 4.620664e+06 0.00000 1 None 64 4 97 210.680 919.826 0.238 0.501 4.186 4.208 1674.846 1683.868 2.664 5.790 27.486 13.593 210 212 917 924 5.300556e+05 2.233797e+04 7.662702e+06 0.00000 1 None 64 4 98 210.234 924.410 0.352 1.055 4.197 4.181 1679.447 1673.108 2.821 5.077 29.105 11.919 209 212 920 927 3.639702e+05 2.248082e+04 8.200981e+06 0.00000 1 None 64 4 99 207.073 925.152 0.333 7.023 4.279 4.177 1712.062 1671.366 2.298 8.439 23.711 19.811 207 207 919 927 1.994060e+05 2.186293e+04 2.505299e+06 0.00000 1 None 64 4