REMARK ROI 2D Peak Detection System, File: /data/spectra/expnmr_00130_2.ft2 REMARK Detection Levels: -inf and 1.18589e+06 REMARK Detection: X(+/-1) Y(+/-1) REMARK Interpolation: X(+/-1) Y(+/-1) REMARK Noise: 9188.12, 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: 88, Good Peaks: 88, Questionable Peaks: 0 REMARK Clusters: 76, Max Cluster Size: 3 REMARK ROI Spectral Axis Limits: DATA X_AXIS 1H 1 235 8.013ppm 3.589ppm DATA Y_AXIS 1H 1 753 8.020ppm 3.608ppm 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 8.066 26.401 0.001 0.001 7.879 7.871 3152.713 3149.310 2.174 2.818 16.446 6.616 6 9 25 28 2.817269e+07 7.781071e+03 1.470702e+08 0.00000 1 None 1 1 2 114.711 368.227 0.011 0.019 5.863 5.865 2345.938 2346.871 2.300 4.170 17.400 9.790 114 115 367 371 2.633957e+06 7.269848e+03 2.258149e+07 0.00000 1 None 2 2 3 172.631 368.159 0.006 0.007 4.768 5.866 1907.773 2347.031 2.527 4.128 19.115 9.691 171 174 366 371 6.623674e+06 7.319841e+03 7.970784e+07 0.00000 1 None 3 2 4 191.765 368.048 0.006 0.007 4.406 5.866 1763.027 2347.292 2.305 3.981 17.438 9.346 191 193 367 371 4.764586e+06 7.175606e+03 4.774100e+07 0.00000 1 None 4 2 5 114.710 370.110 0.010 0.012 5.863 5.854 2345.946 2342.450 2.341 3.843 17.711 9.021 114 115 367 371 3.090215e+06 7.386681e+03 2.258149e+07 0.00000 1 None 2 2 6 172.653 370.048 0.005 0.004 4.767 5.855 1907.607 2342.597 2.561 3.717 19.371 8.726 171 174 367 372 7.395093e+06 7.367875e+03 8.237968e+07 0.00000 1 None 3 2 7 191.770 370.149 0.005 0.008 4.406 5.854 1762.991 2342.359 2.315 3.996 17.515 9.380 191 193 367 372 5.218092e+06 7.300149e+03 5.141146e+07 0.00000 1 None 4 2 8 2.159 543.163 0.042 0.004 7.991 4.839 3197.397 1936.209 4.640 2.035 35.105 4.777 -1 4 543 544 2.367914e+06 7.228701e+03 1.262600e+07 0.00000 1 None 5 1 9 13.366 543.153 0.054 0.004 7.779 4.839 3112.614 1936.231 4.423 1.976 33.456 4.639 12 15 543 544 2.361832e+06 7.320914e+03 1.237279e+07 0.00000 1 None 6 1 10 24.753 543.087 0.061 0.003 7.564 4.839 3026.475 1936.386 5.040 1.825 38.124 4.284 23 26 543 543 2.164799e+06 7.231762e+03 7.207288e+06 0.00000 1 None 7 1 11 35.725 543.096 0.049 0.004 7.356 4.839 2943.467 1936.366 4.394 1.857 33.242 4.359 34 37 543 543 2.124699e+06 7.218306e+03 6.898297e+06 0.00000 1 None 8 1 12 46.950 543.084 0.037 0.004 7.144 4.839 2858.555 1936.393 4.439 1.855 33.578 4.354 46 48 543 543 2.170565e+06 7.251848e+03 5.734891e+06 0.00000 1 None 9 1 13 57.827 543.145 0.050 0.004 6.938 4.839 2776.267 1936.250 4.856 1.968 36.733 4.619 57 59 543 544 2.195305e+06 7.256431e+03 9.435303e+06 0.00000 1 None 10 1 14 69.227 543.117 0.059 0.004 6.723 4.839 2690.025 1936.316 4.891 1.868 36.998 4.384 68 70 543 543 2.056845e+06 7.276048e+03 5.485277e+06 0.00000 1 None 11 1 15 80.227 543.114 0.038 0.004 6.515 4.839 2606.811 1936.324 3.959 1.876 29.953 4.403 79 82 543 543 2.047888e+06 7.185397e+03 6.566696e+06 0.00000 1 None 12 1 16 91.610 543.108 0.071 0.004 6.300 4.839 2520.701 1936.337 4.021 1.829 30.416 4.293 90 93 543 543 2.104451e+06 7.519345e+03 6.647074e+06 0.00000 1 None 13 1 17 102.896 543.177 0.033 0.005 6.086 4.839 2435.320 1936.175 4.013 2.009 30.358 4.717 102 104 543 544 2.100952e+06 7.192308e+03 9.076338e+06 0.00000 1 None 14 1 18 114.178 543.224 0.043 0.005 5.873 4.839 2349.970 1936.066 4.340 2.037 32.834 4.783 113 115 543 544 2.083127e+06 7.295292e+03 9.324786e+06 0.00000 1 None 15 1 19 125.265 543.146 0.043 0.004 5.663 4.839 2266.098 1936.248 4.051 1.930 30.644 4.531 124 126 543 544 2.078229e+06 7.253529e+03 8.576527e+06 0.00000 1 None 16 1 20 136.033 543.265 0.025 0.006 5.460 4.838 2184.643 1935.968 3.507 2.117 26.531 4.970 135 137 543 544 2.051509e+06 7.311672e+03 9.072522e+06 0.00000 1 None 17 1 21 147.227 543.229 0.047 0.006 5.248 4.839 2099.961 1936.052 4.443 2.144 33.612 5.034 146 149 543 544 2.176096e+06 7.269559e+03 1.215974e+07 0.00000 1 None 18 1 22 158.726 543.125 0.045 0.004 5.031 4.839 2012.965 1936.296 4.132 1.882 31.261 4.417 157 160 543 543 2.077108e+06 7.252082e+03 6.755240e+06 0.00000 1 None 19 1 23 172.000 543.201 0.000 0.031 4.780 4.839 1912.550 1936.120 1.488 3.626 11.255 8.512 172 172 543 543 1.239249e+06 8.296982e+03 1.231655e+06 0.00000 1 None 20 1 24 180.862 543.180 0.039 0.005 4.612 4.839 1845.512 1936.168 4.430 2.031 33.511 4.769 180 182 543 544 2.231529e+06 7.216988e+03 9.857210e+06 0.00000 1 None 21 1 25 192.697 543.341 0.145 0.008 4.388 4.838 1755.980 1935.790 5.252 2.217 39.730 5.204 191 193 543 544 2.121697e+06 7.710029e+03 1.002792e+07 0.00000 1 None 22 1 26 203.356 543.494 0.048 0.012 4.187 4.837 1675.341 1935.431 3.948 2.569 29.866 6.032 202 204 543 544 2.322716e+06 7.674813e+03 1.141584e+07 0.00000 1 None 23 1 27 214.323 543.214 0.057 0.006 3.980 4.839 1592.377 1936.089 4.353 2.055 32.928 4.823 213 216 543 544 2.032286e+06 7.345597e+03 1.110128e+07 0.00000 1 None 24 1 28 225.440 543.138 0.086 0.004 3.769 4.839 1508.279 1936.268 4.598 1.871 34.785 4.392 224 227 543 543 2.155381e+06 7.432754e+03 6.889761e+06 0.00000 1 None 25 1 29 8.015 545.000 0.030 0.002 7.880 4.828 3153.096 1931.896 4.425 1.465 33.477 3.439 7 9 545 545 2.788556e+06 7.781184e+03 6.861521e+06 0.00000 1 None 26 1 30 19.215 545.072 0.017 0.001 7.668 4.828 3068.367 1931.726 3.961 1.581 29.963 3.710 18 20 545 546 4.590544e+06 7.463818e+03 1.448279e+07 0.00000 1 None 27 1 31 29.941 545.242 0.014 0.002 7.466 4.827 2987.224 1931.328 3.560 1.848 26.933 4.339 28 31 545 546 3.997086e+06 7.365078e+03 1.697609e+07 0.00000 1 None 28 1 32 40.432 545.219 0.029 0.003 7.267 4.827 2907.863 1931.380 3.187 1.791 24.109 4.205 39 42 545 546 3.191172e+06 7.902772e+03 1.297082e+07 0.00000 1 None 29 1 33 51.235 545.226 0.031 0.003 7.063 4.827 2826.132 1931.365 4.040 1.799 30.562 4.224 50 53 545 546 2.886973e+06 7.530089e+03 1.328477e+07 0.00000 1 None 30 1 34 63.046 545.124 0.019 0.002 6.840 4.827 2736.786 1931.604 3.981 1.660 30.114 3.896 62 65 545 546 3.397173e+06 7.331497e+03 1.371016e+07 0.00000 1 None 31 1 35 86.631 545.250 0.041 0.003 6.394 4.827 2558.368 1931.309 3.692 1.805 27.932 4.238 85 87 545 546 3.422756e+06 7.957505e+03 1.325560e+07 0.00000 1 None 32 1 36 129.858 545.496 0.032 0.011 5.577 4.825 2231.351 1930.732 3.301 2.224 24.969 5.222 129 131 545 546 1.854556e+06 8.073977e+03 8.387592e+06 0.00000 1 None 33 1 37 75.517 545.682 0.054 0.004 6.604 4.824 2642.444 1930.295 4.529 1.902 34.265 4.465 74 77 545 546 3.266945e+06 7.731547e+03 1.867200e+07 0.00000 1 None 34 1 38 97.297 545.759 0.028 0.002 6.192 4.824 2477.674 1930.115 4.691 1.944 35.490 4.564 96 99 545 546 4.740816e+06 7.540890e+03 2.320854e+07 0.00000 1 None 35 1 39 108.323 545.771 0.027 0.001 5.984 4.824 2394.267 1930.085 5.237 1.871 39.616 4.393 107 110 545 546 6.628112e+06 7.614996e+03 3.253794e+07 0.00000 1 None 36 2 40 119.552 545.880 0.017 0.002 5.771 4.823 2309.319 1929.830 3.645 1.894 27.577 4.446 118 121 545 547 5.877152e+06 7.533660e+03 3.252501e+07 0.00000 1 None 37 1 41 140.180 546.049 0.003 0.001 5.381 4.822 2153.264 1929.434 2.514 2.321 19.018 5.450 139 142 545 547 9.410116e+06 7.552943e+03 4.937778e+07 0.00000 1 None 38 2 42 152.577 545.873 0.039 0.002 5.147 4.823 2059.485 1929.846 4.290 1.980 32.451 4.648 151 155 545 547 4.139396e+06 7.418437e+03 3.050424e+07 0.00000 1 None 39 2 43 165.801 546.549 0.004 0.004 4.897 4.819 1959.444 1928.259 2.392 2.519 18.097 5.913 164 168 546 547 8.380398e+06 8.916635e+03 8.571419e+07 0.00000 1 None 40 3 44 169.876 546.478 0.000 0.000 4.820 4.819 1928.619 1928.425 2.187 2.879 16.542 6.760 168 171 545 548 4.053449e+08 7.864052e+03 2.126660e+09 0.00000 1 None 40 3 45 175.842 545.771 0.028 0.002 4.707 4.824 1883.486 1930.085 5.470 1.937 41.384 4.548 174 178 545 546 5.016544e+06 7.256055e+03 2.872054e+07 0.00000 1 None 41 1 46 186.799 545.902 0.016 0.002 4.500 4.823 1800.598 1929.777 3.824 2.108 28.926 4.950 185 188 545 547 4.390594e+06 7.262937e+03 2.758858e+07 0.00000 1 None 42 2 47 197.635 546.111 0.013 0.001 4.295 4.822 1718.621 1929.289 3.938 1.994 29.791 4.682 196 200 545 547 7.364972e+06 7.332964e+03 4.593422e+07 0.00000 1 None 43 1 48 208.640 546.033 0.029 0.002 4.087 4.822 1635.366 1929.470 5.056 2.050 38.251 4.812 207 211 545 547 5.327018e+06 7.053577e+03 3.953591e+07 0.00000 1 None 44 1 49 219.392 545.956 0.034 0.003 3.884 4.823 1554.026 1929.653 4.520 2.149 34.195 5.045 218 221 545 547 3.944511e+06 7.232267e+03 2.708353e+07 0.00000 1 None 45 1 50 229.946 546.025 0.027 0.002 3.684 4.822 1474.186 1929.490 5.486 1.998 41.504 4.689 228 232 545 547 4.429022e+06 7.020408e+03 3.309552e+07 0.00000 1 None 46 1 51 24.811 548.297 0.019 0.004 7.563 4.809 3026.036 1924.156 3.141 1.953 23.764 4.585 24 26 548 549 2.955910e+06 8.168556e+03 1.129598e+07 0.00000 1 None 47 1 52 35.220 548.633 0.032 0.020 7.366 4.807 2947.287 1923.366 2.726 2.471 20.626 5.800 35 35 548 549 1.728381e+06 9.180226e+03 2.906344e+06 0.00000 1 None 48 1 53 55.162 548.307 0.029 0.005 6.989 4.809 2796.430 1924.132 3.673 1.934 27.787 4.540 54 56 548 549 2.405752e+06 7.788520e+03 1.012713e+07 0.00000 1 None 49 1 54 102.285 548.200 0.043 0.004 6.098 4.809 2439.945 1924.384 4.107 1.776 31.072 4.170 101 103 548 549 2.367951e+06 7.708421e+03 9.201599e+06 0.00000 1 None 50 1 55 113.431 548.261 0.046 0.003 5.887 4.809 2355.625 1924.240 4.676 1.822 35.377 4.277 112 115 548 549 3.646179e+06 7.524042e+03 2.008595e+07 0.00000 1 None 36 2 56 132.000 548.177 0.507 0.005 5.536 4.810 2215.149 1924.438 7.397 1.757 55.960 4.124 131 133 548 548 1.739536e+06 7.896689e+03 4.413119e+06 0.00000 1 None 51 1 57 143.399 548.403 0.296 0.008 5.321 4.808 2128.919 1923.908 7.500 2.108 56.735 4.948 142 145 548 549 2.042066e+06 7.935447e+03 1.153083e+07 0.00000 1 None 38 2 58 161.372 548.219 0.210 0.004 4.981 4.809 1992.949 1924.339 8.150 1.800 61.654 4.227 159 162 548 549 2.189470e+06 7.536143e+03 1.142453e+07 0.00000 1 None 39 2 59 191.423 548.284 0.055 0.004 4.413 4.809 1765.619 1924.187 4.440 1.860 33.590 4.365 189 192 548 549 2.776157e+06 7.707210e+03 1.322122e+07 0.00000 1 None 42 2 60 82.927 548.544 0.041 0.012 6.464 4.807 2586.385 1923.577 3.967 2.372 30.008 5.569 82 84 548 549 1.771634e+06 7.538347e+03 8.742359e+06 0.00000 1 None 52 1 61 124.666 548.752 0.046 0.012 5.675 4.806 2270.633 1923.087 3.193 2.424 24.154 5.690 125 125 549 549 1.376806e+06 7.382493e+03 1.320318e+06 0.00000 1 None 53 1 62 173.053 548.942 0.016 0.004 4.760 4.805 1904.582 1922.641 2.441 1.709 18.464 4.012 173 173 549 549 1.580392e+06 7.445671e+03 1.575286e+06 0.00000 1 None 54 1 63 203.212 548.746 0.024 0.004 4.190 4.806 1676.431 1923.101 3.940 2.118 29.803 4.972 202 205 548 549 3.267840e+06 7.301620e+03 1.780405e+07 0.00000 1 None 55 1 64 222.239 548.713 0.032 0.008 3.830 4.806 1532.491 1923.180 3.143 2.101 23.776 4.933 222 223 548 549 1.698467e+06 7.409421e+03 5.372509e+06 0.00000 1 None 56 1 65 232.782 548.701 0.009 0.008 3.631 4.806 1452.736 1923.207 1.958 2.283 14.815 5.359 232 233 548 549 2.451816e+06 8.695755e+03 6.694815e+06 0.00000 1 None 57 1 66 114.660 555.320 0.006 0.008 5.864 4.768 2346.326 1907.670 2.384 3.654 18.033 8.578 113 116 552 558 5.448374e+06 7.523604e+03 6.079706e+07 0.00000 1 None 58 1 67 172.663 555.357 0.009 0.014 4.767 4.767 1907.532 1907.583 2.384 3.902 18.033 9.159 171 174 552 558 4.018891e+06 7.488279e+03 5.804636e+07 0.00000 1 None 40 3 68 191.749 555.368 0.008 0.015 4.406 4.767 1763.146 1907.558 2.330 3.883 17.630 9.115 191 193 552 558 3.589612e+06 7.411548e+03 3.653890e+07 0.00000 1 None 59 1 69 114.694 616.945 0.007 0.015 5.863 4.406 2346.070 1763.004 2.299 5.101 17.395 11.975 114 116 615 619 4.017111e+06 7.233148e+03 3.355377e+07 0.00000 1 None 60 1 70 172.645 616.967 0.010 0.016 4.768 4.406 1907.674 1762.953 2.453 5.071 18.557 11.904 172 174 615 619 3.535360e+06 7.263199e+03 3.097654e+07 0.00000 1 None 61 1 71 191.750 617.006 0.006 0.013 4.406 4.406 1763.142 1762.862 2.293 5.308 17.346 12.461 191 193 615 619 4.696762e+06 7.123391e+03 4.030250e+07 0.00000 1 None 62 1 72 199.395 616.813 0.014 0.026 4.262 4.407 1705.310 1763.313 2.423 5.102 18.332 11.978 199 200 615 619 2.715616e+06 7.364353e+03 1.963739e+07 0.00000 1 None 63 1 73 191.769 642.020 0.008 0.011 4.406 4.259 1762.999 1704.141 2.279 4.005 17.243 9.403 191 192 640 644 3.262810e+06 7.238370e+03 2.038319e+07 0.00000 1 None 64 1 74 199.453 641.827 0.011 0.012 4.261 4.260 1704.871 1704.595 2.469 3.991 18.677 9.368 199 200 640 644 3.853878e+06 7.554076e+03 2.591532e+07 0.00000 1 None 65 1 75 218.997 641.945 0.004 0.004 3.891 4.259 1557.018 1704.318 2.626 3.495 19.864 8.205 217 220 640 644 6.558382e+06 7.036888e+03 5.887965e+07 0.00000 1 None 66 2 76 223.223 641.907 0.005 0.004 3.811 4.260 1525.047 1704.406 2.752 3.394 20.816 7.968 222 225 640 644 7.185260e+06 7.152670e+03 6.897806e+07 0.00000 1 None 66 2 77 199.411 699.993 0.022 0.009 4.262 3.919 1705.188 1568.049 2.552 2.698 19.303 6.333 199 200 699 701 2.032601e+06 7.658965e+03 8.700699e+06 0.00000 1 None 67 1 78 219.023 700.124 0.009 0.005 3.891 3.918 1556.819 1567.741 2.758 2.686 20.863 6.307 218 220 699 701 3.248571e+06 7.271747e+03 1.761995e+07 0.00000 1 None 68 1 79 223.241 700.206 0.014 0.008 3.811 3.918 1524.910 1567.550 2.754 2.862 20.836 6.718 222 225 699 701 2.789153e+06 7.321922e+03 1.870160e+07 0.00000 1 None 69 1 80 199.424 705.496 0.011 0.011 4.261 3.887 1705.087 1555.131 2.451 3.030 18.545 7.114 199 200 704 707 4.132659e+06 8.024854e+03 2.103610e+07 0.00000 1 None 70 1 81 219.003 705.763 0.005 0.004 3.891 3.885 1556.969 1554.504 2.748 2.904 20.788 6.818 217 221 704 708 6.505666e+06 7.258076e+03 5.356586e+07 0.00000 1 None 71 2 82 223.208 705.610 0.007 0.006 3.812 3.886 1525.163 1554.862 2.792 3.076 21.122 7.222 221 225 704 707 5.562900e+06 7.347082e+03 4.837442e+07 0.00000 1 None 71 2 83 199.478 717.007 0.012 0.006 4.260 3.819 1704.676 1528.108 2.539 3.094 19.205 7.263 199 200 716 718 4.046206e+06 7.689213e+03 1.868554e+07 0.00000 1 None 72 1 84 218.933 717.128 0.006 0.005 3.892 3.818 1557.498 1527.823 2.697 3.247 20.405 7.621 217 220 716 719 5.121584e+06 7.079500e+03 4.025384e+07 0.00000 1 None 73 2 85 223.188 717.089 0.006 0.004 3.812 3.819 1525.315 1527.915 2.711 3.206 20.509 7.526 222 225 715 719 5.602998e+06 7.181384e+03 4.969498e+07 0.00000 1 None 74 1 86 199.492 722.457 0.022 0.022 4.260 3.787 1704.574 1515.313 2.477 3.323 18.741 7.800 199 200 721 723 2.337066e+06 7.964518e+03 1.063505e+07 0.00000 1 None 75 1 87 218.855 722.472 0.008 0.023 3.894 3.787 1558.089 1515.278 2.230 3.877 16.872 9.102 218 219 719 724 2.729802e+06 7.409891e+03 1.976153e+07 0.00000 1 None 73 2 88 223.217 722.683 0.010 0.012 3.811 3.786 1525.096 1514.783 2.653 3.565 20.071 8.369 222 225 721 724 3.369293e+06 7.285473e+03 2.979310e+07 0.00000 1 None 76 1