REMARK ROI 2D Peak Detection System, File: ./test.ft2 REMARK Detection Levels: -2.1648e+08 and 216479 REMARK Detection: X(+/-1) Y(+/-1) REMARK Interpolation: X(+/-1) Y(+/-1) REMARK Noise: 9717.31, 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: 81, Good Peaks: 81, Questionable Peaks: 0 REMARK Clusters: 50, Max Cluster Size: 10 REMARK ROI Spectral Axis Limits: DATA X_AXIS 1H 1 234 8.117ppm 1.709ppm DATA Y_AXIS 1H 1 1077 8.130ppm 1.818ppm 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 9.588 45.110 0.044 0.029 7.881 7.871 3153.354 3149.623 2.325 3.059 25.580 7.181 8 10 43 47 9.041372e+05 8.229459e+03 5.696796e+06 0.00000 1 None 1 1 2 11.464 53.987 0.034 0.022 7.829 7.819 3132.708 3128.784 2.628 3.682 28.913 8.642 10 12 51 56 1.569449e+06 7.944350e+03 1.290046e+07 0.00000 1 None 2 3 3 13.020 61.467 0.009 0.021 7.786 7.775 3115.593 3111.225 2.173 3.424 23.914 8.038 11 14 59 63 2.372628e+06 7.964196e+03 1.608079e+07 0.00000 1 None 2 3 4 15.144 71.632 0.002 0.002 7.728 7.716 3092.221 3087.364 2.259 3.066 24.854 7.197 13 16 70 74 1.646324e+07 7.968669e+03 1.028624e+08 0.00000 1 None 2 3 5 206.346 71.717 0.030 0.024 2.470 7.715 988.307 3087.164 2.336 2.903 25.708 6.814 205 208 70 73 1.220509e+06 8.155312e+03 7.221325e+06 0.00000 1 None 3 1 6 211.904 72.039 0.080 0.055 2.317 7.713 927.141 3086.408 2.254 2.592 24.800 6.084 212 212 72 72 2.877039e+05 7.852528e+03 2.865417e+05 0.00000 1 None 4 1 7 16.935 79.228 0.023 0.041 7.679 7.671 3072.510 3069.532 2.057 3.384 22.638 7.944 16 18 77 81 8.179545e+05 7.794227e+03 4.980446e+06 0.00000 1 None 5 1 8 18.251 86.108 0.036 0.027 7.643 7.631 3058.035 3053.382 2.435 3.122 26.790 7.329 17 19 84 88 9.044102e+05 7.806905e+03 6.121615e+06 0.00000 1 None 6 1 9 21.942 102.903 0.022 0.047 7.541 7.532 3017.416 3013.955 2.154 4.208 23.707 9.878 21 23 101 106 8.839195e+05 7.607037e+03 9.287630e+06 0.00000 1 None 7 2 10 22.579 105.761 0.050 0.035 7.524 7.516 3010.405 3007.246 2.476 3.117 27.247 7.317 21 23 104 107 9.256693e+05 8.260370e+03 6.216364e+06 0.00000 1 None 7 2 11 25.105 118.193 0.002 0.002 7.454 7.443 2982.616 2978.061 2.235 3.101 24.596 7.279 23 26 116 120 1.474654e+07 7.805867e+03 9.511468e+07 0.00000 1 None 8 2 12 211.940 118.286 0.010 0.016 2.316 7.442 926.748 2977.844 2.187 3.254 24.069 7.639 211 213 116 120 2.087041e+06 7.833028e+03 1.290774e+07 0.00000 1 None 9 1 13 16.159 119.089 0.287 0.020 7.700 7.437 3081.049 2975.958 5.672 2.127 62.413 4.994 14 20 118 120 5.151362e+05 7.337150e+03 8.383199e+06 0.00000 1 None 8 2 14 206.355 118.711 0.090 0.066 2.470 7.440 988.210 2976.846 2.260 2.701 24.865 6.341 206 207 118 119 3.902152e+05 8.191779e+03 1.313598e+06 0.00000 1 None 10 1 15 28.986 136.231 0.025 0.034 7.347 7.337 2939.902 2935.718 2.194 3.095 24.142 7.266 28 30 135 138 8.335522e+05 7.865747e+03 4.584906e+06 0.00000 1 None 11 1 16 114.337 535.089 0.107 0.164 5.000 4.997 2000.740 1999.396 3.178 6.359 34.968 14.928 113 116 530 540 5.827799e+05 7.468799e+03 1.534911e+07 0.00000 1 None 12 1 17 128.287 535.147 0.079 0.153 4.617 4.996 1847.235 1999.258 2.672 5.533 29.403 12.989 127 129 531 539 5.085099e+05 7.492430e+03 8.360956e+06 0.00000 1 None 13 2 18 136.899 535.073 0.032 0.147 4.380 4.997 1752.473 1999.432 2.295 6.717 25.254 15.768 136 138 530 540 6.909429e+05 7.365603e+03 1.304086e+07 0.00000 1 None 14 1 19 149.762 535.041 0.070 0.237 4.026 4.997 1610.933 1999.508 2.324 6.476 25.572 15.202 149 150 530 540 4.030206e+05 7.469521e+03 5.918297e+06 0.00000 1 None 15 1 20 128.323 538.797 0.116 1.496 4.616 4.975 1846.835 1990.690 2.642 13.884 29.071 32.593 128 129 529 541 3.594728e+05 7.500391e+03 8.769396e+06 0.00000 1 None 13 2 21 147.947 559.513 0.052 0.210 4.076 4.854 1630.903 1942.059 1.724 3.521 18.970 8.265 148 148 559 560 2.543393e+05 7.741512e+03 4.739818e+05 0.00000 1 None 16 1 22 72.417 562.955 0.313 0.017 6.153 4.833 2462.010 1933.979 3.755 1.553 41.324 3.646 72 73 563 563 3.630851e+05 8.584874e+03 6.984651e+05 0.00000 1 None 17 1 23 81.491 563.454 0.161 0.080 5.903 4.830 2362.165 1932.808 2.574 2.518 28.326 5.912 81 82 563 564 4.219485e+05 9.552980e+03 1.321375e+06 0.00000 1 None 18 1 24 89.327 563.171 0.087 0.028 5.688 4.832 2275.936 1933.473 2.721 2.360 29.943 5.539 89 90 562 564 5.734192e+05 8.334137e+03 2.145362e+06 0.00000 1 None 19 4 25 85.863 564.223 0.350 0.066 5.783 4.826 2314.051 1931.002 3.841 2.168 42.265 5.089 86 86 564 564 2.441355e+05 9.367854e+03 2.383935e+05 0.00000 1 None 20 1 26 95.753 563.760 0.087 0.013 5.511 4.829 2205.224 1932.090 4.374 2.314 48.133 5.432 93 99 563 565 1.252258e+06 7.748135e+03 1.463393e+07 0.00000 1 None 19 4 27 100.465 563.712 0.172 0.011 5.382 4.829 2153.374 1932.203 5.695 2.333 62.669 5.478 96 104 562 565 1.570963e+06 7.854054e+03 2.963652e+07 0.00000 1 None 19 4 28 120.475 563.888 0.000 0.000 4.831 4.828 1933.192 1931.788 2.661 2.733 29.278 6.415 118 122 562 566 2.686028e+08 8.166814e+03 1.797627e+09 0.00000 1 None 19 4 29 217.726 564.211 0.115 0.034 2.157 4.826 863.086 1931.030 2.522 1.977 27.746 4.641 218 218 564 564 4.256930e+05 1.018835e+04 4.067774e+05 0.00000 1 None 21 1 30 192.781 565.357 0.104 0.097 2.843 4.819 1137.571 1928.340 1.941 2.316 21.359 5.436 193 193 565 565 2.551932e+05 1.003171e+04 2.376931e+05 0.00000 1 None 22 1 31 224.496 566.165 0.524 0.050 1.971 4.815 788.589 1926.444 3.669 1.974 40.370 4.633 224 224 566 566 2.606010e+05 9.539628e+03 2.479479e+05 0.00000 1 None 23 1 32 231.832 566.609 0.062 0.157 1.769 4.812 707.869 1925.400 1.728 2.853 19.012 6.697 232 232 566 567 3.398118e+05 1.026242e+04 5.920189e+05 0.00000 1 None 24 1 33 114.336 598.235 0.094 0.059 5.000 4.626 2000.750 1851.159 3.135 3.640 34.499 8.544 113 116 596 601 6.571293e+05 7.614865e+03 7.596876e+06 0.00000 1 None 25 2 34 128.278 598.180 0.037 0.032 4.617 4.627 1847.337 1851.289 2.786 3.784 30.657 8.882 127 130 595 601 1.198244e+06 7.597523e+03 1.406682e+07 0.00000 1 None 26 2 35 136.870 598.221 0.027 0.047 4.381 4.626 1752.789 1851.191 2.347 3.939 25.828 9.246 136 138 595 601 9.325149e+05 7.577246e+03 8.681533e+06 0.00000 1 None 27 2 36 149.785 598.256 0.061 0.102 4.025 4.626 1610.681 1851.109 2.351 3.966 25.870 9.309 149 150 597 600 4.714397e+05 7.685336e+03 2.642044e+06 0.00000 1 None 28 1 37 114.341 604.018 0.116 0.052 5.000 4.592 2000.694 1837.583 3.158 3.493 34.750 8.199 113 116 602 606 5.387961e+05 7.556983e+03 5.636397e+06 0.00000 1 None 25 2 38 128.352 604.029 0.052 0.030 4.615 4.592 1846.522 1837.557 2.906 3.640 31.975 8.545 127 130 601 607 1.030786e+06 7.635690e+03 1.253643e+07 0.00000 1 None 26 2 39 136.872 604.033 0.031 0.041 4.380 4.592 1752.768 1837.549 2.351 3.805 25.866 8.932 136 138 601 606 7.979332e+05 7.554484e+03 7.041973e+06 0.00000 1 None 27 2 40 149.801 604.089 0.075 0.096 4.025 4.592 1610.501 1837.417 2.383 3.892 26.221 9.136 149 150 603 605 3.772502e+05 7.611951e+03 1.735145e+06 0.00000 1 None 29 1 41 155.877 636.877 0.030 0.355 3.858 4.400 1543.647 1760.448 2.089 9.675 22.983 22.713 155 157 632 641 6.303886e+05 7.389935e+03 9.710719e+06 0.00000 1 None 30 1 42 114.311 638.726 0.063 0.090 5.001 4.389 2001.022 1756.106 3.113 5.147 34.254 12.083 112 116 636 643 9.077456e+05 7.477155e+03 1.845763e+07 0.00000 1 None 31 2 43 128.306 638.809 0.048 0.082 4.616 4.388 1847.025 1755.911 2.773 5.347 30.509 12.551 127 130 636 643 9.415936e+05 7.489280e+03 1.637468e+07 0.00000 1 None 32 2 44 136.811 638.587 0.013 0.075 4.382 4.390 1753.439 1756.434 2.359 6.465 25.962 15.178 135 138 634 644 2.153268e+06 7.477942e+03 4.022420e+07 0.00000 1 None 33 3 45 149.368 638.641 0.038 0.083 4.037 4.389 1615.267 1756.306 2.806 5.542 30.871 13.009 147 151 635 643 1.356695e+06 7.595318e+03 2.640533e+07 0.00000 1 None 34 2 46 114.328 642.429 0.070 0.257 5.000 4.367 2000.837 1747.413 3.051 7.177 33.573 16.847 113 116 637 645 8.106520e+05 7.522523e+03 1.897591e+07 0.00000 1 None 31 2 47 128.305 642.236 0.051 0.191 4.616 4.368 1847.035 1747.867 2.716 7.428 29.891 17.437 127 130 637 645 8.493388e+05 7.523939e+03 1.815827e+07 0.00000 1 None 32 2 48 136.871 641.729 0.013 0.116 4.381 4.371 1752.780 1749.056 2.325 8.342 25.584 19.582 135 138 636 646 1.795967e+06 7.379454e+03 3.990491e+07 0.00000 1 None 33 3 49 149.389 642.451 0.043 0.390 4.036 4.367 1615.041 1747.362 2.690 10.117 29.602 23.751 148 151 635 645 1.145964e+06 7.662225e+03 2.834341e+07 0.00000 1 None 34 2 50 149.969 649.603 0.109 0.451 4.020 4.325 1608.660 1730.573 2.403 4.547 26.440 10.674 150 150 649 650 2.368655e+05 7.826845e+03 4.532111e+05 0.00000 1 None 35 1 51 154.511 649.437 0.255 0.251 3.895 4.326 1558.671 1730.963 2.824 3.831 31.075 8.993 154 155 649 650 2.628832e+05 8.087997e+03 9.551302e+05 0.00000 1 None 36 1 52 138.881 649.584 0.071 0.186 4.325 4.325 1730.667 1730.617 2.560 4.495 28.175 10.552 138 140 647 653 4.161037e+05 7.515945e+03 5.197348e+06 0.00000 1 None 33 3 53 142.951 668.432 0.062 0.275 4.213 4.215 1685.883 1686.370 2.452 5.361 26.981 12.584 142 144 665 672 4.096890e+05 7.460440e+03 6.234171e+06 0.00000 1 None 37 1 54 148.235 668.495 0.126 0.407 4.068 4.214 1627.740 1686.223 2.492 4.928 27.418 11.567 148 148 668 672 2.673699e+05 7.676290e+03 1.294437e+06 0.00000 1 None 38 2 55 148.377 671.020 0.169 0.215 4.064 4.199 1626.175 1680.296 2.721 5.144 29.939 12.075 148 149 668 672 2.902826e+05 7.660296e+03 2.443736e+06 0.00000 1 None 38 2 56 135.576 685.545 0.232 0.788 4.416 4.114 1767.033 1646.198 2.779 6.153 30.582 14.444 135 136 685 686 2.441882e+05 7.790182e+03 8.954328e+05 0.00000 1 None 39 1 58 149.201 696.566 0.002 0.008 4.041 4.049 1617.105 1620.326 2.573 5.633 28.310 13.224 147 151 693 701 1.582263e+07 7.542012e+03 3.523479e+08 0.00000 1 None 40 6 59 114.281 701.395 0.077 0.109 5.002 4.021 2001.350 1608.991 2.879 4.230 31.682 9.929 113 115 699 703 6.307602e+05 7.651548e+03 5.762207e+06 0.00000 1 None 41 1 60 136.913 701.428 0.018 0.101 4.379 4.021 1752.323 1608.913 2.468 6.117 27.160 14.359 135 138 697 704 1.465392e+06 7.534667e+03 2.247083e+07 0.00000 1 None 40 6 61 149.335 701.191 0.003 0.003 4.038 4.022 1615.633 1609.470 2.845 4.156 31.311 9.756 147 151 698 704 1.717995e+07 7.615422e+03 2.470640e+08 0.00000 1 None 40 6 62 128.331 701.919 0.089 0.060 4.615 4.018 1846.746 1607.760 2.907 3.833 31.992 8.998 127 130 699 704 5.804457e+05 7.541217e+03 6.850915e+06 0.00000 1 None 42 1 64 153.021 714.693 0.044 0.127 3.936 3.943 1575.069 1577.774 2.865 5.518 31.530 12.953 152 155 711 718 7.535046e+05 7.339440e+03 1.204227e+07 0.00000 1 None 40 6 65 154.631 723.873 0.073 0.118 3.892 3.889 1557.351 1556.224 2.989 6.106 32.894 14.335 153 156 720 728 7.907370e+05 7.541029e+03 1.948848e+07 0.00000 1 None 40 6 66 136.114 728.947 0.031 0.055 4.401 3.860 1761.116 1544.312 2.430 4.522 26.743 10.615 135 137 727 731 8.291191e+05 7.410572e+03 7.219558e+06 0.00000 1 None 43 1 67 155.854 729.084 0.011 0.028 3.858 3.859 1543.894 1543.990 2.275 5.024 25.033 11.794 154 157 725 733 2.086944e+06 7.433665e+03 2.525861e+07 0.00000 1 None 40 6 68 200.549 938.300 0.217 0.140 2.629 2.631 1052.096 1052.855 2.535 3.001 27.896 7.045 201 201 938 938 2.375997e+05 8.281320e+03 2.188997e+05 0.00000 1 None 44 1 69 202.559 947.176 0.165 0.056 2.574 2.579 1029.973 1032.017 3.149 3.012 34.650 7.071 202 203 946 948 4.609383e+05 7.936682e+03 2.134392e+06 0.00000 1 None 45 10 70 211.244 957.319 0.296 0.070 2.335 2.520 934.407 1008.207 3.561 2.282 39.188 5.356 211 211 957 957 2.416500e+05 7.610663e+03 2.302747e+05 0.00000 1 None 46 1 71 205.225 959.629 0.002 0.004 2.501 2.506 1000.641 1002.785 2.298 3.701 25.285 8.688 204 207 957 963 1.182756e+07 7.883570e+03 1.371409e+08 0.00000 1 None 45 10 72 211.460 960.768 0.380 0.036 2.329 2.499 932.030 1000.110 5.054 2.573 55.608 6.040 207 215 960 962 5.196798e+05 7.510803e+03 1.588454e+07 0.00000 1 None 45 10 73 15.111 964.156 0.030 0.136 7.729 2.480 3092.579 992.158 1.651 3.253 18.168 7.636 15 15 964 965 7.181730e+05 1.159965e+04 1.150907e+06 0.00000 1 None 47 1 74 206.292 965.284 0.001 0.001 2.471 2.473 988.901 989.510 2.304 3.076 25.349 7.220 205 208 963 967 5.219637e+07 8.072101e+03 3.383737e+08 0.00000 1 None 45 10 79 228.880 966.785 0.546 0.031 1.850 2.464 740.351 985.985 7.127 2.208 78.420 5.184 224 232 966 967 4.151233e+05 7.383335e+03 7.384694e+06 0.00000 1 None 45 10 80 207.862 972.373 0.009 0.016 2.428 2.431 971.622 972.867 2.229 3.476 24.524 8.160 207 209 970 974 2.833612e+06 7.898457e+03 1.947325e+07 0.00000 1 None 45 10 81 211.412 973.526 0.189 0.243 2.331 2.425 932.562 970.161 3.190 4.629 35.103 10.868 209 212 972 977 3.865094e+05 7.635068e+03 8.456296e+06 0.00000 1 None 45 10 82 211.037 986.424 0.003 0.007 2.341 2.349 936.691 939.883 2.270 3.797 24.979 8.914 210 213 983 989 8.066009e+06 7.772900e+03 1.044685e+08 0.00000 1 None 45 10 83 24.963 990.492 0.019 0.047 7.458 2.325 2984.169 930.332 1.722 2.805 18.945 6.584 25 25 990 991 9.840152e+05 1.042184e+04 1.610947e+06 0.00000 1 None 48 1 84 211.926 991.276 0.000 0.001 2.316 2.320 926.903 928.493 2.207 3.278 24.286 7.694 211 214 989 993 6.120318e+07 7.807025e+03 3.963590e+08 0.00000 1 None 45 10 85 193.146 993.207 0.468 0.038 2.833 2.309 1133.551 923.959 4.599 1.759 50.602 4.130 193 193 993 993 2.308695e+05 8.105419e+03 2.240377e+05 0.00000 1 None 49 1 87 213.852 1000.188 0.009 0.010 2.264 2.268 905.711 907.571 2.275 3.162 25.039 7.423 213 215 998 1002 2.894042e+06 7.806140e+03 1.845006e+07 0.00000 1 None 45 10 88 217.861 1018.990 0.075 0.081 2.153 2.158 861.600 863.433 2.274 3.364 25.018 7.897 218 218 1018 1020 3.202753e+05 7.711400e+03 7.969074e+05 0.00000 1 None 50 1