REMARK ROI 2D Peak Detection System, File: /data/spectra/expnmr_00049_2.ft2 REMARK Detection Levels: -1.28024e+09 and 128024 REMARK Detection: X(+/-1) Y(+/-1) REMARK Interpolation: X(+/-1) Y(+/-1) REMARK Noise: 15214.7, 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: 83, Good Peaks: 83, Questionable Peaks: 0 REMARK Clusters: 44, Max Cluster Size: 11 REMARK ROI Spectral Axis Limits: DATA X_AXIS 1H 1 102 4.900ppm 3.322ppm DATA Y_AXIS 1H 1 276 4.901ppm 3.288ppm 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 6.915 17.865 0.002 0.002 4.808 4.802 1923.658 1921.456 2.293 2.951 14.337 6.928 5 8 16 20 1.884516e+07 1.216517e+04 1.213940e+08 0.00000 1 None 1 1 2 15.176 40.360 0.268 0.292 4.678 4.670 1872.010 1868.650 2.308 2.866 14.427 6.729 15 15 40 40 1.724829e+05 1.326520e+04 1.652708e+05 0.00000 1 None 2 2 3 18.767 40.473 0.129 0.168 4.622 4.669 1849.564 1868.384 2.184 2.878 13.651 6.755 18 19 39 41 3.632882e+05 1.343833e+04 1.334524e+06 0.00000 1 None 2 2 4 23.176 40.276 0.113 0.113 4.553 4.671 1821.998 1868.846 2.274 2.875 14.218 6.750 23 24 39 41 3.685765e+05 1.244159e+04 1.437292e+06 0.00000 1 None 3 1 5 84.798 40.456 0.336 0.151 3.591 4.670 1436.731 1868.424 3.251 2.551 20.324 5.989 84 86 40 41 2.827239e+05 1.261338e+04 1.322546e+06 0.00000 1 None 4 1 6 15.703 48.689 0.414 0.091 4.670 4.621 1868.717 1849.097 4.143 2.655 25.901 6.234 15 19 47 50 3.985692e+05 1.201661e+04 7.096314e+06 0.00000 1 None 5 2 7 18.625 48.855 0.072 0.035 4.625 4.620 1850.447 1848.707 2.440 2.709 15.256 6.358 17 20 47 50 9.168145e+05 1.281735e+04 5.608096e+06 0.00000 1 None 5 2 8 23.071 48.813 0.039 0.038 4.555 4.620 1822.654 1848.806 2.216 2.817 13.853 6.613 22 24 47 50 8.858036e+05 1.228960e+04 4.488174e+06 0.00000 1 None 6 1 9 26.254 48.901 0.237 0.148 4.505 4.620 1802.754 1848.599 2.375 2.808 14.852 6.593 26 27 48 49 2.226444e+05 1.311694e+04 7.018560e+05 0.00000 1 None 7 1 10 84.889 48.747 0.115 0.042 3.589 4.621 1436.164 1848.960 3.422 2.582 21.397 6.062 83 87 47 50 7.257825e+05 1.193425e+04 6.117390e+06 0.00000 1 None 8 1 11 15.390 61.005 0.184 0.061 4.675 4.549 1870.672 1820.186 2.677 2.604 16.734 6.112 14 17 60 62 4.294847e+05 1.250920e+04 2.704684e+06 0.00000 1 None 9 2 12 18.676 60.904 0.064 0.034 4.624 4.550 1850.132 1820.423 2.379 2.702 14.874 6.342 17 20 59 63 8.880320e+05 1.266243e+04 5.384244e+06 0.00000 1 None 9 2 13 23.125 60.938 0.042 0.032 4.554 4.549 1822.313 1820.344 2.281 2.757 14.263 6.472 22 24 59 62 8.984065e+05 1.228960e+04 4.543692e+06 0.00000 1 None 10 2 14 26.006 61.133 0.155 0.124 4.509 4.548 1804.300 1819.885 2.351 2.740 14.696 6.431 26 27 60 62 2.471362e+05 1.262018e+04 8.577007e+05 0.00000 1 None 10 2 15 85.069 60.869 0.114 0.032 3.586 4.550 1435.040 1820.504 3.556 2.494 22.234 5.856 82 88 59 62 7.374552e+05 1.176689e+04 6.826715e+06 0.00000 1 None 11 1 16 15.430 69.033 0.355 0.107 4.675 4.502 1870.425 1801.338 2.710 2.562 16.946 6.015 15 16 68 70 2.437829e+05 1.262562e+04 1.034622e+06 0.00000 1 None 12 2 17 18.680 69.073 0.134 0.072 4.624 4.502 1850.107 1801.245 2.339 2.703 14.623 6.346 18 19 68 70 4.089909e+05 1.269560e+04 1.657651e+06 0.00000 1 None 12 2 18 23.162 69.085 0.112 0.097 4.554 4.502 1822.081 1801.218 2.251 2.971 14.075 6.975 22 24 68 70 3.502536e+05 1.242995e+04 1.682160e+06 0.00000 1 None 13 1 19 85.109 69.081 0.271 0.069 3.586 4.502 1434.784 1801.227 3.484 2.437 21.781 5.721 84 87 68 70 3.096375e+05 1.181358e+04 2.108384e+06 0.00000 1 None 14 1 20 29.543 77.872 0.067 0.033 4.454 4.450 1782.188 1780.590 2.480 2.874 15.507 6.747 28 31 76 80 1.132858e+06 1.288795e+04 7.543066e+06 0.00000 1 None 15 1 21 55.701 77.892 0.170 0.087 4.045 4.450 1618.645 1780.544 2.563 2.828 16.026 6.639 54 57 77 79 3.661158e+05 1.231591e+04 2.321274e+06 0.00000 1 None 16 1 22 80.467 77.897 2.263 0.122 3.658 4.450 1463.806 1780.530 5.274 2.302 32.974 5.405 79 82 78 78 1.643497e+05 1.182992e+04 5.954851e+05 0.00000 1 None 17 1 23 34.523 90.447 0.090 0.120 4.376 4.376 1751.052 1751.069 2.775 4.295 17.351 10.082 33 36 87 93 1.085869e+06 1.246246e+04 1.568564e+07 0.00000 1 None 18 2 24 46.441 90.361 0.136 0.146 4.190 4.377 1676.542 1751.271 3.060 4.462 19.133 10.474 45 48 87 93 8.055924e+05 1.208211e+04 1.275700e+07 0.00000 1 None 19 2 25 55.686 90.435 0.115 0.282 4.046 4.376 1618.740 1751.099 2.362 4.477 14.770 10.510 54 57 88 93 4.690975e+05 1.214373e+04 6.059402e+06 0.00000 1 None 20 2 26 34.572 91.872 0.076 0.055 4.375 4.368 1750.750 1747.725 2.798 3.941 17.492 9.252 33 36 89 95 1.177010e+06 1.219844e+04 1.652811e+07 0.00000 1 None 18 2 27 46.488 92.055 0.132 0.062 4.189 4.367 1676.251 1747.294 3.086 3.838 19.291 9.009 45 48 89 95 9.355446e+05 1.225947e+04 1.398648e+07 0.00000 1 None 19 2 28 55.686 92.008 0.104 0.119 4.046 4.367 1618.741 1747.405 2.424 4.145 15.157 9.729 54 57 89 95 5.344320e+05 1.210484e+04 6.887124e+06 0.00000 1 None 20 2 29 81.670 92.033 0.089 0.043 3.640 4.367 1456.285 1747.347 3.269 3.724 20.440 8.743 80 84 89 95 1.155862e+06 1.176130e+04 1.888806e+07 0.00000 1 None 21 1 30 41.373 108.272 0.198 0.217 4.269 4.272 1708.230 1709.226 3.281 4.988 20.511 11.710 39 43 105 112 5.612557e+05 1.180543e+04 1.039702e+07 0.00000 1 None 22 6 31 65.370 109.216 0.257 0.136 3.894 4.266 1558.194 1707.010 3.138 3.473 19.620 8.154 64 67 107 111 4.007227e+05 1.196304e+04 4.449658e+06 0.00000 1 None 23 3 32 43.653 112.929 0.452 0.097 4.234 4.244 1693.974 1698.293 3.656 2.800 22.857 6.573 41 45 111 115 2.937576e+05 1.180127e+04 4.203072e+06 0.00000 1 None 22 6 33 65.409 113.104 0.168 0.042 3.894 4.243 1557.955 1697.883 3.266 2.749 20.418 6.453 64 67 111 115 7.063720e+05 1.209735e+04 7.134636e+06 0.00000 1 None 23 3 34 43.970 116.958 0.245 0.118 4.229 4.221 1691.992 1688.835 3.335 3.140 20.850 7.371 42 45 115 119 2.897105e+05 1.160462e+04 3.329201e+06 0.00000 1 None 22 6 35 65.478 116.785 0.157 0.072 3.893 4.222 1557.519 1689.241 3.198 3.540 19.991 8.310 64 67 114 120 8.054031e+05 1.213579e+04 1.217672e+07 0.00000 1 None 23 3 36 34.458 119.856 0.385 0.130 4.377 4.204 1751.458 1682.033 2.936 2.877 18.354 6.754 34 35 119 122 2.731342e+05 1.242133e+04 1.697968e+06 0.00000 1 None 24 2 37 46.180 119.936 0.338 0.107 4.194 4.203 1678.173 1681.844 3.945 3.237 24.666 7.598 44 48 119 122 3.417634e+05 1.155029e+04 4.456452e+06 0.00000 1 None 22 6 38 55.787 120.038 0.119 0.080 4.044 4.203 1618.111 1681.604 2.457 2.993 15.363 7.026 54 57 119 122 4.086570e+05 1.202519e+04 3.426288e+06 0.00000 1 None 25 3 39 81.676 119.940 0.067 0.019 3.639 4.203 1456.249 1681.835 3.291 2.865 20.578 6.725 80 84 118 122 1.550393e+06 1.187110e+04 1.734027e+07 0.00000 1 None 26 3 40 34.520 123.356 0.228 0.134 4.376 4.183 1751.074 1673.815 2.727 3.036 17.050 7.127 33 36 121 125 4.309308e+05 1.289724e+04 3.772508e+06 0.00000 1 None 24 2 41 46.676 123.296 0.158 0.074 4.186 4.184 1675.075 1673.957 3.202 3.059 20.020 7.182 45 48 121 125 6.473996e+05 1.216064e+04 6.736386e+06 0.00000 1 None 22 6 42 55.810 123.292 0.068 0.082 4.044 4.184 1617.966 1673.966 2.363 3.262 14.771 7.657 54 57 121 125 6.656988e+05 1.225465e+04 5.502263e+06 0.00000 1 None 25 3 43 81.706 123.230 0.038 0.015 3.639 4.184 1456.063 1674.112 3.244 2.905 20.282 6.820 80 84 121 125 2.608446e+06 1.201283e+04 2.727752e+07 0.00000 1 None 26 3 44 46.735 126.318 0.167 0.368 4.185 4.166 1674.701 1666.862 2.931 5.604 18.326 13.156 45 48 122 128 4.477770e+05 1.182947e+04 8.953960e+06 0.00000 1 None 22 6 45 55.818 126.341 0.091 0.636 4.043 4.166 1617.913 1666.807 2.231 6.958 13.949 16.335 55 57 121 128 4.154243e+05 1.182388e+04 7.041742e+06 0.00000 1 None 25 3 46 81.756 126.549 0.062 0.033 3.638 4.164 1455.749 1666.319 3.218 2.806 20.120 6.588 80 84 125 128 1.557805e+06 1.243877e+04 1.527151e+07 0.00000 1 None 26 3 47 53.415 141.279 0.055 0.036 4.081 4.078 1632.939 1631.741 2.603 3.080 16.272 7.230 52 55 139 143 1.443810e+06 1.267573e+04 1.086972e+07 0.00000 1 None 27 3 48 65.484 141.037 0.527 0.114 3.892 4.079 1557.484 1632.309 3.170 2.662 19.821 6.248 65 66 140 142 2.411227e+05 1.239694e+04 1.081970e+06 0.00000 1 None 28 1 49 79.794 141.477 0.733 0.178 3.669 4.077 1468.017 1631.277 6.286 3.490 39.301 8.194 77 82 139 143 4.471441e+05 1.186765e+04 7.726815e+06 0.00000 1 None 29 3 50 44.142 141.572 0.745 0.152 4.226 4.076 1690.916 1631.054 5.725 2.909 35.796 6.829 40 46 140 143 3.369574e+05 1.199406e+04 5.218570e+06 0.00000 1 None 30 1 51 29.592 147.417 0.243 0.641 4.453 4.042 1781.884 1617.332 2.313 4.821 14.459 11.318 29 30 146 150 2.444045e+05 1.232177e+04 1.971396e+06 0.00000 1 None 31 2 52 34.645 147.038 0.093 0.104 4.374 4.044 1750.291 1618.223 2.587 4.499 16.175 10.561 33 36 145 150 7.219212e+05 1.199616e+04 8.389356e+06 0.00000 1 None 32 1 53 55.799 147.200 0.030 0.126 4.044 4.043 1618.033 1617.842 2.290 6.288 14.317 14.762 54 57 145 151 1.326610e+06 1.161287e+04 1.565898e+07 0.00000 1 None 27 3 54 81.595 146.682 0.073 0.184 3.641 4.046 1456.760 1619.059 3.201 7.234 20.013 16.983 80 84 142 151 1.512667e+06 1.177402e+04 2.694526e+07 0.00000 1 None 29 3 55 29.626 148.718 0.271 0.245 4.453 4.034 1781.668 1614.277 2.515 3.409 15.725 8.003 29 30 147 150 2.532179e+05 1.250652e+04 1.604266e+06 0.00000 1 None 31 2 56 46.680 148.586 0.057 0.033 4.186 4.035 1675.047 1614.588 3.146 3.052 19.667 7.163 45 49 147 151 1.790893e+06 1.233506e+04 1.913345e+07 0.00000 1 None 33 1 57 55.821 148.563 0.034 0.054 4.043 4.035 1617.895 1614.642 2.363 3.361 14.775 7.889 54 57 147 151 1.360483e+06 1.243765e+04 1.153353e+07 0.00000 1 None 27 3 58 81.621 148.614 0.089 0.036 3.640 4.035 1456.596 1614.523 3.458 3.023 21.622 7.096 80 84 147 151 1.511199e+06 1.225752e+04 1.733792e+07 0.00000 1 None 29 3 59 63.140 167.507 0.339 1.093 3.929 3.924 1572.136 1570.170 2.453 4.536 15.337 10.647 63 63 167 167 1.344399e+05 1.219210e+04 1.302815e+05 0.00000 1 None 34 1 60 43.757 171.232 0.194 0.079 4.232 3.902 1693.322 1561.426 3.577 3.145 22.361 7.382 41 45 170 173 5.566357e+05 1.179318e+04 7.200006e+06 0.00000 1 None 35 2 61 65.159 172.034 0.131 0.164 3.898 3.898 1559.518 1559.544 2.533 4.075 15.839 9.566 64 66 170 175 3.542718e+05 1.167383e+04 3.797293e+06 0.00000 1 None 36 1 62 43.752 175.843 0.221 0.087 4.232 3.875 1693.351 1550.601 3.613 3.317 22.590 7.786 41 45 174 177 4.968691e+05 1.170408e+04 6.924862e+06 0.00000 1 None 35 2 63 77.969 202.344 0.099 0.036 3.697 3.720 1479.424 1488.391 3.914 2.672 24.471 6.272 76 80 200 203 1.097753e+06 1.244439e+04 8.888930e+06 0.00000 1 None 37 11 64 80.667 204.384 0.102 0.049 3.655 3.708 1462.559 1483.602 3.013 2.776 18.839 6.516 79 82 203 206 9.702152e+05 1.278313e+04 9.774822e+06 0.00000 1 None 37 11 65 79.390 208.243 0.057 0.012 3.675 3.685 1470.542 1474.544 3.804 2.722 23.785 6.389 76 82 206 210 2.798636e+06 1.211694e+04 3.760703e+07 0.00000 1 None 37 11 66 53.783 211.024 0.585 0.555 4.075 3.669 1630.637 1468.016 3.263 4.793 20.402 11.251 53 54 210 211 1.464155e+05 1.184334e+04 5.455518e+05 0.00000 1 None 38 3 67 79.903 212.781 0.036 0.013 3.667 3.659 1467.335 1463.890 4.015 3.016 25.100 7.081 77 83 211 215 3.065049e+06 1.172488e+04 4.756756e+07 0.00000 1 None 37 11 68 34.644 216.050 0.156 0.204 4.374 3.639 1750.298 1456.215 2.647 4.969 16.550 11.665 33 36 213 220 4.489675e+05 1.190560e+04 7.711272e+06 0.00000 1 None 39 2 69 46.533 216.427 0.055 0.099 4.189 3.637 1675.968 1455.331 3.087 5.581 19.299 13.101 45 49 212 220 2.092788e+06 1.211833e+04 4.470366e+07 0.00000 1 None 40 1 70 55.746 216.350 0.096 0.414 4.045 3.638 1618.366 1455.512 2.293 5.857 14.337 13.748 54 57 213 220 4.661212e+05 1.190677e+04 7.673464e+06 0.00000 1 None 38 3 71 83.270 217.136 0.122 0.008 3.615 3.633 1446.285 1453.667 6.228 2.449 38.940 5.748 79 85 215 218 2.912026e+06 1.220118e+04 3.711257e+07 0.00000 1 None 37 11 72 86.272 218.669 0.027 0.018 3.568 3.624 1427.517 1450.067 2.856 3.024 17.855 7.099 85 88 218 221 2.801031e+06 1.235638e+04 2.297108e+07 0.00000 1 None 37 11 73 34.580 219.637 0.277 0.152 4.375 3.618 1750.696 1447.796 2.832 2.950 17.704 6.926 33 36 218 221 3.454757e+05 1.254395e+04 3.075713e+06 0.00000 1 None 39 2 74 55.740 219.577 0.131 0.163 4.045 3.619 1618.405 1447.937 2.362 3.164 14.767 7.428 55 57 218 221 3.971386e+05 1.253244e+04 2.815157e+06 0.00000 1 None 38 3 75 18.683 223.049 0.149 0.094 4.624 3.598 1850.089 1439.787 2.061 2.568 12.884 6.028 18 19 222 224 2.991057e+05 1.355757e+04 1.077149e+06 0.00000 1 None 41 1 76 23.082 222.413 0.070 0.318 4.555 3.602 1822.586 1441.279 1.621 3.373 10.137 7.918 23 23 222 223 3.260462e+05 1.444464e+04 5.818652e+05 0.00000 1 None 42 1 77 85.078 222.965 0.010 0.002 3.586 3.599 1434.982 1439.983 3.564 2.358 22.280 5.534 82 88 221 225 8.618892e+06 1.178399e+04 8.105463e+07 0.00000 1 None 37 11 78 18.759 227.045 0.114 0.122 4.623 3.575 1849.610 1430.406 1.897 2.939 11.859 6.900 18 19 226 228 2.873692e+05 1.314735e+04 1.043961e+06 0.00000 1 None 43 1 79 23.121 226.687 0.065 0.117 4.554 3.577 1822.340 1431.246 1.816 2.900 11.351 6.808 23 24 226 228 4.174645e+05 1.355901e+04 1.283290e+06 0.00000 1 None 44 1 80 84.886 227.072 0.011 0.002 3.589 3.575 1436.184 1430.341 3.640 2.395 22.759 5.621 82 88 225 229 8.657456e+06 1.178888e+04 8.623350e+07 0.00000 1 None 37 11 81 78.962 228.208 0.285 0.064 3.682 3.568 1473.216 1427.675 3.066 1.836 19.169 4.310 77 81 228 229 2.380771e+05 1.272344e+04 1.479626e+06 0.00000 1 None 37 11 82 83.713 231.340 0.026 0.024 3.608 3.550 1443.512 1420.322 2.844 3.560 17.782 8.357 82 85 228 233 2.988426e+06 1.234960e+04 4.818365e+07 0.00000 1 None 37 11 83 85.824 232.882 0.040 0.007 3.575 3.541 1430.315 1416.703 3.889 2.361 24.316 5.543 84 89 232 235 2.944978e+06 1.212907e+04 2.669429e+07 0.00000 1 None 37 11