REMARK ROI 2D Peak Detection System, File: ./test.ft2 REMARK Detection Levels: -8.08835e+07 and 80885.5 REMARK Detection: X(+/-1) Y(+/-1) REMARK Interpolation: X(+/-1) Y(+/-1) REMARK Noise: 7976.87, 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: 95, Questionable Peaks: 0 REMARK Clusters: 38, Max Cluster Size: 26 REMARK ROI Spectral Axis Limits: DATA X_AXIS 1H 1 209 8.202ppm 1.052ppm DATA Y_AXIS 1H 1 1226 8.288ppm 1.101ppm 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 37.746 78.886 0.102 0.086 6.938 7.831 2776.312 3133.341 2.211 2.999 30.415 7.040 37 38 78 81 2.215048e+05 6.488739e+03 1.182949e+06 0.00000 1 None 1 2 2 11.959 81.922 0.164 0.194 7.825 7.813 3131.005 3126.214 2.174 3.182 29.896 7.470 12 12 82 82 1.009654e+05 6.326422e+03 1.007712e+05 0.00000 1 None 2 1 3 37.827 82.105 0.079 0.071 6.936 7.812 2775.201 3125.784 2.204 2.947 30.320 6.919 37 39 80 83 2.487922e+05 6.431080e+03 1.458365e+06 0.00000 1 None 1 2 4 16.595 105.880 0.160 0.084 7.666 7.672 3067.242 3069.971 2.447 2.882 33.664 6.765 16 17 105 108 2.235919e+05 6.683416e+03 1.170904e+06 0.00000 1 None 3 2 5 38.176 106.037 0.035 0.024 6.924 7.671 2770.398 3069.603 2.328 2.812 32.025 6.602 37 39 104 108 6.322071e+05 6.407904e+03 4.015942e+06 0.00000 1 None 4 2 6 16.676 109.539 0.134 0.224 7.663 7.651 3066.122 3061.382 2.324 3.481 31.966 8.173 16 17 107 111 2.269390e+05 6.781471e+03 1.418185e+06 0.00000 1 None 3 2 7 38.200 109.275 0.036 0.044 6.923 7.652 2770.067 3062.002 2.278 3.205 31.337 7.524 37 39 107 111 6.224106e+05 6.464091e+03 4.412146e+06 0.00000 1 None 4 2 8 18.067 116.438 0.137 0.223 7.615 7.610 3046.985 3045.187 2.206 3.004 30.337 7.052 18 18 116 117 1.387434e+05 6.664275e+03 2.604478e+05 0.00000 1 None 5 1 9 36.148 120.363 0.179 0.257 6.993 7.587 2798.293 3035.974 2.294 3.194 31.556 7.498 36 37 120 121 1.208868e+05 6.540414e+03 3.808668e+05 0.00000 1 None 6 1 10 36.150 123.741 0.235 0.262 6.993 7.568 2798.266 3028.043 2.407 3.192 33.102 7.494 36 36 123 124 9.800780e+04 6.394247e+03 1.769166e+05 0.00000 1 None 7 1 11 37.896 176.957 0.184 0.223 6.933 7.255 2774.253 2903.118 2.294 3.510 31.555 8.240 38 38 176 177 1.033043e+05 6.239956e+03 1.862284e+05 0.00000 1 None 8 1 12 38.094 180.362 0.209 0.678 6.927 7.235 2771.530 2895.126 2.187 4.386 30.086 10.297 38 38 180 180 8.393434e+04 6.315946e+03 8.249975e+04 0.00000 1 None 9 1 13 30.904 188.990 0.033 0.045 7.174 7.185 2870.418 2874.870 2.216 3.585 30.485 8.417 30 32 187 192 5.310796e+05 6.213147e+03 5.783826e+06 0.00000 1 None 10 11 14 40.902 188.820 0.010 0.012 6.830 7.186 2732.899 2875.270 2.290 3.228 31.492 7.578 39 42 187 191 1.878884e+06 6.337706e+03 1.467292e+07 0.00000 1 None 10 11 15 30.952 192.214 0.024 0.035 7.172 7.166 2869.764 2867.303 2.233 3.371 30.717 7.914 30 32 190 194 7.520828e+05 6.347568e+03 5.896469e+06 0.00000 1 None 10 11 16 40.863 192.047 0.011 0.008 6.831 7.167 2733.443 2867.695 2.397 2.967 32.975 6.965 39 42 190 194 2.048191e+06 6.437003e+03 1.899058e+07 0.00000 1 None 10 11 17 31.952 196.277 0.004 0.006 7.138 7.142 2856.009 2857.766 2.201 3.037 30.268 7.130 30 33 194 198 4.312193e+06 6.474692e+03 2.919739e+07 0.00000 1 None 10 11 18 39.100 196.022 0.001 0.001 6.892 7.144 2757.686 2858.363 2.298 2.874 31.607 6.747 37 41 194 198 1.444998e+07 6.384061e+03 9.692716e+07 0.00000 1 None 10 11 19 25.083 197.000 0.961 0.000 7.374 7.138 2950.484 2856.067 6.357 1.438 87.433 3.375 24 29 197 197 1.518923e+05 6.340304e+03 9.878574e+05 0.00000 1 None 10 11 21 47.814 197.000 0.706 0.000 6.592 7.138 2637.834 2856.067 5.712 1.443 78.560 3.386 44 52 197 197 1.935548e+05 6.446330e+03 1.437918e+06 0.00000 1 None 11 1 22 177.814 198.098 0.225 0.147 2.124 7.131 849.737 2853.489 2.438 2.824 33.530 6.629 178 178 198 198 1.094010e+05 6.409625e+03 1.078799e+05 0.00000 1 None 12 1 23 32.000 199.489 0.003 0.010 7.136 7.123 2855.345 2850.224 2.160 3.828 29.704 8.986 30 33 196 202 5.384046e+06 6.512532e+03 5.105312e+07 0.00000 1 None 10 11 24 39.101 199.345 0.001 0.002 6.892 7.124 2757.671 2850.563 2.208 3.326 30.365 7.808 38 41 197 201 1.528260e+07 6.474856e+03 1.113403e+08 0.00000 1 None 10 11 27 52.923 201.095 20.894 0.028 6.417 7.114 2567.557 2846.454 17.378 1.549 239.030 3.636 41 57 201 201 1.596662e+05 6.006337e+03 4.472006e+06 0.00000 1 None 10 11 28 32.741 204.085 0.175 0.126 7.111 7.096 2845.156 2839.434 2.559 3.291 35.194 7.725 32 34 202 206 1.710769e+05 6.340897e+03 1.757424e+06 0.00000 1 None 10 11 29 44.091 204.162 0.195 0.232 6.720 7.096 2689.046 2839.254 2.316 3.297 31.853 7.739 44 44 204 205 9.981127e+04 6.303451e+03 1.829495e+05 0.00000 1 None 13 1 30 36.071 206.305 0.202 0.227 6.996 7.083 2799.352 2834.224 2.295 2.852 31.568 6.695 36 36 206 206 9.771244e+04 6.490042e+03 9.530638e+04 0.00000 1 None 14 1 31 19.115 220.843 0.188 0.320 7.579 6.998 3032.578 2800.096 2.309 3.986 31.759 9.356 19 19 220 221 1.043394e+05 6.248312e+03 1.940995e+05 0.00000 1 None 15 1 32 36.158 221.186 0.176 0.248 6.993 6.996 2798.151 2799.290 2.436 3.841 33.504 9.018 36 37 220 224 1.301293e+05 6.203942e+03 9.586461e+05 0.00000 1 None 16 15 33 19.075 223.941 0.170 0.205 7.580 6.980 3033.122 2792.823 2.337 3.513 32.139 8.246 19 19 223 225 1.143116e+05 6.287185e+03 2.893119e+05 0.00000 1 None 17 1 34 36.609 225.141 0.249 0.481 6.978 6.973 2791.954 2790.006 2.261 4.947 31.105 11.612 36 37 224 229 1.149390e+05 6.447647e+03 9.975501e+05 0.00000 1 None 16 15 35 11.892 230.065 0.095 0.076 7.827 6.944 3131.925 2778.447 2.232 2.758 30.698 6.475 11 12 229 232 1.964486e+05 6.444483e+03 8.911389e+05 0.00000 1 None 18 2 36 28.635 231.359 0.440 0.430 7.252 6.936 2901.639 2775.408 2.595 3.444 35.690 8.084 29 29 231 231 8.685773e+04 6.549050e+03 8.180191e+04 0.00000 1 None 19 1 37 11.974 233.493 0.094 0.179 7.824 6.924 3130.800 2770.400 2.315 3.251 31.845 7.631 11 13 231 235 2.136040e+05 6.492271e+03 1.564340e+06 0.00000 1 None 18 2 38 16.545 232.798 0.066 0.036 7.667 6.928 3067.920 2772.032 2.450 2.856 33.697 6.705 15 18 231 235 5.944876e+05 6.794326e+03 4.328812e+06 0.00000 1 None 20 2 39 38.221 233.262 0.043 0.110 6.922 6.925 2769.779 2770.943 2.280 4.764 31.358 11.183 37 39 230 236 5.193923e+05 6.260313e+03 7.615290e+06 0.00000 1 None 16 15 40 16.546 235.762 0.074 0.036 7.667 6.910 3067.908 2765.073 2.308 2.462 31.740 5.780 16 17 234 237 5.043335e+05 7.267448e+03 2.563426e+06 0.00000 1 None 20 2 41 32.010 237.773 0.001 0.002 7.136 6.899 2855.205 2760.354 2.241 3.088 30.820 7.249 30 34 236 240 1.319368e+07 6.364981e+03 9.168126e+07 0.00000 1 None 16 15 42 39.021 237.904 0.003 0.003 6.895 6.898 2758.774 2760.045 2.224 3.065 30.584 7.194 37 40 236 240 6.617050e+06 6.316217e+03 4.397371e+07 0.00000 1 None 16 15 43 23.392 239.000 1.987 0.000 7.432 6.891 2973.755 2757.472 6.688 1.431 91.992 3.359 22 28 239 239 1.309551e+05 6.345997e+03 1.547919e+06 0.00000 1 None 16 15 45 45.337 239.000 1.309 0.000 6.678 6.891 2671.905 2757.472 6.038 1.436 83.047 3.372 43 46 239 239 1.496903e+05 6.423262e+03 5.060320e+05 0.00000 1 None 21 1 46 184.996 239.801 0.140 0.155 1.877 6.887 750.954 2755.591 2.075 2.732 28.542 6.414 185 185 239 240 1.119637e+05 6.552113e+03 1.982562e+05 0.00000 1 None 22 1 47 32.023 241.058 0.002 0.001 7.135 6.879 2855.037 2752.641 2.266 2.925 31.162 6.867 30 34 239 243 1.190239e+07 6.392041e+03 8.207994e+07 0.00000 1 None 16 15 48 39.055 241.013 0.004 0.004 6.893 6.880 2758.304 2752.746 2.239 3.183 30.793 7.473 38 40 239 243 5.000654e+06 6.372049e+03 3.636653e+07 0.00000 1 None 16 15 50 18.872 242.838 1.639 0.068 7.587 6.869 3035.916 2748.461 7.026 1.929 96.646 4.528 18 24 243 243 1.115981e+05 6.099526e+03 9.057674e+05 0.00000 1 None 16 15 52 47.149 242.926 12.293 0.045 6.615 6.868 2646.979 2748.255 12.418 1.760 170.803 4.131 38 52 243 243 1.327717e+05 6.245656e+03 3.814741e+06 0.00000 1 None 16 15 53 30.765 248.050 0.013 0.008 7.178 6.838 2872.342 2736.226 2.354 2.807 32.374 6.589 29 32 246 250 1.865901e+06 6.500439e+03 1.241441e+07 0.00000 1 None 16 15 54 40.960 248.138 0.025 0.029 6.828 6.838 2732.104 2736.020 2.216 3.097 30.484 7.271 40 42 246 250 6.859533e+05 6.383504e+03 4.543868e+06 0.00000 1 None 16 15 55 43.936 249.891 0.617 0.274 6.726 6.828 2691.172 2731.904 3.871 3.449 53.243 8.097 44 44 250 250 8.346997e+04 6.113484e+03 8.325960e+04 0.00000 1 None 23 1 56 30.764 251.359 0.015 0.022 7.178 6.819 2872.346 2728.459 2.247 3.417 30.905 8.022 29 32 249 253 1.602486e+06 6.540899e+03 1.280142e+07 0.00000 1 None 16 15 57 41.592 253.779 0.050 0.028 6.806 6.805 2723.413 2722.779 2.567 2.942 35.304 6.905 40 44 252 256 8.076590e+05 6.789107e+03 6.409820e+06 0.00000 1 None 16 15 58 44.573 254.186 0.335 0.411 6.704 6.802 2682.414 2721.823 2.397 4.155 32.973 9.753 43 45 254 255 1.055243e+05 6.696523e+03 7.624641e+05 0.00000 1 None 16 15 59 33.165 266.976 0.182 0.190 7.096 6.727 2839.330 2691.799 2.024 2.972 27.844 6.976 33 33 267 267 9.032509e+04 6.456156e+03 8.911923e+04 0.00000 1 None 24 1 60 41.455 268.002 0.292 0.151 6.811 6.721 2725.297 2689.388 2.284 2.807 31.422 6.590 41 42 268 268 1.143108e+05 6.792513e+03 2.053363e+05 0.00000 1 None 25 1 61 44.117 267.691 0.185 0.338 6.719 6.723 2688.678 2690.121 2.517 4.006 34.618 9.405 44 45 267 271 1.254431e+05 6.145713e+03 9.726918e+05 0.00000 1 None 26 2 62 32.914 270.900 0.209 0.189 7.105 6.704 2842.782 2682.587 2.309 2.970 31.764 6.972 33 33 271 271 9.102055e+04 6.238967e+03 9.056172e+04 0.00000 1 None 27 1 63 41.460 271.400 0.352 0.469 6.811 6.701 2725.230 2681.412 2.325 3.615 31.982 8.486 41 42 271 272 1.016589e+05 6.803445e+03 3.457522e+05 0.00000 1 None 28 1 64 44.542 271.204 0.686 0.287 6.705 6.702 2682.835 2681.873 3.345 3.698 46.006 8.680 44 45 268 272 1.166308e+05 6.436672e+03 9.751982e+05 0.00000 1 None 26 2 65 101.025 584.300 0.153 0.354 4.763 4.866 1905.935 1946.878 2.051 3.591 28.214 8.431 101 101 584 587 9.255896e+04 6.044258e+03 4.684362e+05 0.00000 1 None 29 26 66 100.731 586.178 0.417 0.079 4.773 4.855 1909.990 1942.470 2.762 2.143 37.994 5.030 100 101 586 588 2.021038e+05 8.522845e+03 1.337115e+06 0.00000 1 None 29 26 67 100.409 588.039 0.109 0.017 4.784 4.844 1914.415 1938.101 2.722 1.855 37.445 4.355 99 102 587 589 4.671808e+05 7.544953e+03 1.634613e+06 0.00000 1 None 29 26 68 100.265 590.005 0.037 0.004 4.789 4.832 1916.391 1933.487 3.011 1.630 41.415 3.825 99 102 589 591 1.398400e+06 7.696150e+03 3.661518e+06 0.00000 1 None 29 26 69 100.008 593.908 0.000 0.000 4.798 4.809 1919.925 1924.324 2.257 2.614 31.047 6.136 99 102 592 596 1.242833e+08 6.519031e+03 6.346008e+08 0.00000 1 None 29 26 70 123.547 594.048 0.233 0.006 3.989 4.808 1596.157 1923.994 7.221 2.230 99.324 5.234 119 129 592 596 1.601194e+06 6.151681e+03 3.707775e+07 0.00000 1 None 29 26 71 127.703 593.951 0.099 0.007 3.846 4.809 1538.994 1924.224 5.382 2.241 74.023 5.262 124 132 592 595 1.399433e+06 6.124251e+03 2.572207e+07 0.00000 1 None 29 26 72 131.099 593.978 0.132 0.007 3.729 4.809 1492.289 1924.159 6.721 2.209 92.447 5.187 126 136 593 595 1.194790e+06 6.023967e+03 2.539752e+07 0.00000 1 None 29 26 73 137.894 593.887 0.151 0.010 3.496 4.809 1398.824 1924.373 6.372 2.233 87.643 5.243 133 143 592 595 9.561249e+05 6.068719e+03 2.063925e+07 0.00000 1 None 29 26 74 142.710 594.028 0.191 0.010 3.330 4.809 1332.583 1924.041 5.956 2.156 81.927 5.060 139 147 593 595 8.556966e+05 5.964937e+03 1.476910e+07 0.00000 1 None 29 26 75 144.761 593.869 0.628 0.011 3.260 4.809 1304.378 1924.415 10.617 2.136 146.035 5.014 137 153 593 595 8.016923e+05 6.230283e+03 2.766967e+07 0.00000 1 None 29 26 76 149.200 593.935 0.094 0.014 3.107 4.809 1243.319 1924.260 4.222 2.411 58.074 5.659 146 152 593 596 7.840747e+05 6.229645e+03 1.053432e+07 0.00000 1 None 29 26 77 155.045 593.902 0.296 0.013 2.906 4.809 1162.916 1924.337 8.321 2.371 114.448 5.566 149 161 592 595 7.762964e+05 5.960987e+03 2.100129e+07 0.00000 1 None 29 26 78 159.185 594.005 0.156 0.011 2.764 4.809 1105.973 1924.094 5.403 2.144 74.314 5.032 155 163 593 595 7.483719e+05 6.143690e+03 1.395064e+07 0.00000 1 None 29 26 79 161.993 593.945 0.084 0.010 2.668 4.809 1067.357 1924.237 4.563 2.172 62.757 5.100 159 165 593 595 8.425119e+05 6.185188e+03 1.049193e+07 0.00000 1 None 29 26 80 165.761 593.847 0.068 0.014 2.538 4.810 1015.521 1924.467 3.512 2.317 48.310 5.438 164 168 593 595 8.228601e+05 6.392693e+03 6.520500e+06 0.00000 1 None 29 26 81 171.737 593.934 0.289 0.009 2.333 4.809 933.324 1924.262 7.393 2.055 101.694 4.825 167 177 593 595 8.577206e+05 6.124941e+03 1.508543e+07 0.00000 1 None 29 26 82 179.622 593.811 0.565 0.021 2.061 4.810 824.870 1924.551 7.523 2.351 103.481 5.518 175 185 592 595 5.669539e+05 6.226606e+03 1.426657e+07 0.00000 1 None 29 26 83 182.334 594.074 0.225 0.016 1.968 4.808 787.568 1923.934 5.222 2.297 71.832 5.392 178 186 593 595 6.254386e+05 6.182168e+03 1.113155e+07 0.00000 1 None 29 26 84 186.412 593.937 0.161 0.013 1.828 4.809 731.483 1924.255 4.592 2.258 63.164 5.300 183 189 593 595 7.877627e+05 6.381196e+03 9.265667e+06 0.00000 1 None 29 26 85 190.681 593.941 0.124 0.013 1.681 4.809 672.769 1924.247 4.149 2.232 57.063 5.239 188 194 593 595 7.217199e+05 6.410979e+03 8.518404e+06 0.00000 1 None 29 26 86 193.716 593.906 0.156 0.020 1.577 4.809 631.013 1924.328 4.133 2.318 56.854 5.442 191 197 593 595 5.307688e+05 6.352005e+03 7.331457e+06 0.00000 1 None 29 26 87 198.036 593.950 0.123 0.011 1.429 4.809 571.596 1924.225 4.700 1.946 64.649 4.567 195 199 593 595 6.235681e+05 6.272013e+03 4.742842e+06 0.00000 1 None 29 26 88 206.549 593.973 0.034 0.012 1.136 4.809 454.505 1924.171 2.296 2.368 31.574 5.559 205 207 593 595 1.065018e+06 7.241625e+03 5.296020e+06 0.00000 1 None 30 2 89 202.311 595.371 0.060 0.020 1.282 4.801 512.804 1920.889 2.986 2.320 41.072 5.446 201 204 595 597 9.485992e+05 7.680104e+03 5.026455e+06 0.00000 1 None 30 2 90 99.794 597.803 0.023 0.010 4.806 4.786 1922.872 1915.180 2.435 2.247 33.491 5.274 99 101 596 600 1.210482e+06 6.900239e+03 2.156597e+07 0.00000 1 None 29 26 91 99.694 599.763 0.075 0.028 4.809 4.775 1924.251 1910.579 2.529 2.206 34.782 5.177 99 101 598 602 4.817420e+05 7.109608e+03 4.649372e+06 0.00000 1 None 29 26 92 99.102 601.835 0.691 0.061 4.829 4.763 1932.389 1905.715 3.257 1.886 44.801 4.429 99 100 601 602 2.027147e+05 8.584796e+03 5.558332e+05 0.00000 1 None 29 26 93 99.002 603.990 0.162 0.132 4.833 4.750 1933.767 1900.657 2.195 2.705 30.196 6.351 99 99 604 604 9.739586e+04 5.968432e+03 9.739278e+04 0.00000 1 None 31 1 94 123.316 729.911 0.111 0.084 3.997 4.011 1599.344 1605.055 2.227 3.024 30.625 7.099 123 124 729 732 2.334637e+05 6.675268e+03 1.530938e+06 0.00000 1 None 32 2 95 124.063 734.174 0.010 0.015 3.971 3.986 1589.057 1595.048 2.149 3.314 29.553 7.780 123 126 732 736 1.620256e+06 6.349903e+03 1.081453e+07 0.00000 1 None 32 2 96 125.229 741.210 0.177 0.149 3.931 3.945 1573.021 1578.531 2.177 2.735 29.949 6.421 125 126 741 742 1.258039e+05 6.768819e+03 3.752795e+05 0.00000 1 None 33 1 97 133.880 789.795 0.224 0.305 3.634 3.660 1454.038 1464.477 2.356 3.528 32.408 8.283 134 134 790 790 9.171590e+04 6.222203e+03 9.063325e+04 0.00000 1 None 34 1 98 134.015 792.863 0.190 0.232 3.629 3.642 1452.175 1457.276 2.360 3.391 32.459 7.959 134 134 792 793 1.002028e+05 6.210793e+03 1.840858e+05 0.00000 1 None 35 1 99 139.886 825.982 0.093 0.068 3.427 3.448 1371.426 1379.529 2.347 2.810 32.279 6.596 139 141 825 827 2.223847e+05 6.406088e+03 1.093549e+06 0.00000 1 None 36 1 100 153.023 902.970 0.061 0.059 2.976 2.996 1190.731 1198.799 2.192 2.928 30.150 6.873 152 154 902 904 2.777851e+05 6.409243e+03 1.314872e+06 0.00000 1 None 37 1 101 206.099 1212.176 0.094 0.101 1.151 1.182 460.696 472.936 2.138 2.884 29.413 6.771 206 207 1211 1213 1.855572e+05 6.552731e+03 6.711431e+05 0.00000 1 None 38 1