REMARK ROI 2D Peak Detection System, File: ./test.ft2 REMARK Detection Levels: -1.52355e+08 and 152354 REMARK Detection: X(+/-1) Y(+/-1) REMARK Interpolation: X(+/-1) Y(+/-1) REMARK Noise: 9253.74, 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: 74, Good Peaks: 74, Questionable Peaks: 0 REMARK Clusters: 37, Max Cluster Size: 9 REMARK ROI Spectral Axis Limits: DATA X_AXIS 1H 1 232 5.392ppm 0.925ppm DATA Y_AXIS 1H 1 770 5.402ppm 0.890ppm 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 7.083 24.343 0.128 0.372 5.274 5.265 2110.472 2106.695 2.281 4.381 17.647 10.285 7 7 24 25 1.686920e+05 7.205707e+03 3.237936e+05 0.00000 1 None 1 1 2 9.729 32.321 0.116 0.121 5.223 5.218 2089.999 2087.968 2.279 3.022 17.631 7.095 9 10 32 34 2.567934e+05 7.653771e+03 1.165955e+06 0.00000 1 None 2 2 3 11.010 37.002 0.004 0.006 5.199 5.191 2080.088 2076.979 2.161 3.716 16.722 8.723 9 12 34 40 4.616240e+06 7.208660e+03 3.393801e+07 0.00000 1 None 2 2 4 80.918 37.014 0.034 0.019 3.847 5.191 1539.216 2076.951 3.254 3.327 25.175 7.811 79 83 35 39 1.235601e+06 7.004070e+03 1.373726e+07 0.00000 1 None 3 1 5 75.400 102.422 0.047 0.094 3.953 4.807 1581.909 1923.403 2.048 3.654 15.842 8.579 75 76 99 103 6.479834e+05 8.261496e+03 3.645710e+06 0.00000 1 None 4 1 6 31.414 104.062 0.001 0.000 4.804 4.797 1922.224 1919.553 2.687 2.558 20.788 6.004 29 33 102 106 9.040228e+07 7.694247e+03 5.516697e+08 0.00000 1 None 5 1 7 224.991 104.999 0.134 0.073 1.061 4.792 424.533 1917.356 2.190 2.208 16.945 5.183 225 225 105 105 1.544524e+05 7.872217e+03 1.544470e+05 0.00000 1 None 6 1 8 72.807 107.013 0.087 0.136 4.004 4.780 1601.968 1912.626 1.797 3.274 13.903 7.686 73 73 107 107 1.792037e+05 7.526422e+03 1.750679e+05 0.00000 1 None 7 1 9 44.588 145.710 0.013 0.007 4.549 4.553 1820.297 1821.784 2.548 2.727 19.714 6.401 43 46 144 148 3.752438e+06 7.884673e+03 2.887618e+07 0.00000 1 None 8 2 10 86.675 145.728 0.027 0.014 3.735 4.553 1494.672 1821.743 2.652 2.642 20.516 6.203 85 89 144 148 1.608896e+06 7.698664e+03 1.309463e+07 0.00000 1 None 9 4 11 92.013 145.713 0.004 0.003 3.632 4.553 1453.376 1821.777 2.757 2.700 21.327 6.339 90 94 144 148 7.195348e+06 7.420783e+03 6.014563e+07 0.00000 1 None 9 4 12 101.567 145.857 0.103 0.051 3.447 4.552 1379.451 1821.441 2.293 2.591 17.739 6.083 101 102 145 148 3.772441e+05 8.021793e+03 2.009004e+06 0.00000 1 None 10 2 13 44.618 149.000 0.012 0.004 4.549 4.534 1820.068 1814.062 2.618 2.429 20.258 5.702 43 46 147 151 3.996047e+06 7.748481e+03 2.641746e+07 0.00000 1 None 8 2 14 86.682 149.040 0.025 0.008 3.735 4.533 1494.616 1813.968 2.709 2.400 20.957 5.634 85 89 147 150 1.783954e+06 7.611894e+03 1.207203e+07 0.00000 1 None 9 4 15 92.036 149.015 0.004 0.002 3.632 4.534 1453.197 1814.027 2.873 2.414 22.230 5.667 90 94 147 151 7.636286e+06 7.317191e+03 5.562399e+07 0.00000 1 None 9 4 16 101.581 149.070 0.093 0.036 3.447 4.533 1379.349 1813.897 2.399 2.493 18.561 5.853 101 102 147 150 4.544588e+05 8.109143e+03 2.146612e+06 0.00000 1 None 10 2 17 62.839 206.148 0.031 0.023 4.196 4.198 1679.090 1679.906 3.037 3.616 23.495 8.488 61 65 203 209 1.347910e+06 7.133474e+03 2.507548e+07 0.00000 1 None 11 3 18 218.058 206.294 0.006 0.007 1.195 4.198 478.174 1679.564 2.359 2.912 18.248 6.835 217 220 204 208 3.810057e+06 7.484227e+03 2.780066e+07 0.00000 1 None 12 2 19 62.851 208.952 0.027 0.017 4.196 4.182 1678.994 1673.323 2.977 3.384 23.032 7.943 61 65 207 211 1.430370e+06 7.134922e+03 1.763871e+07 0.00000 1 None 11 3 20 218.086 208.893 0.006 0.005 1.195 4.182 477.957 1673.462 2.353 3.031 18.203 7.116 217 220 207 211 3.904029e+06 7.313150e+03 3.023377e+07 0.00000 1 None 12 2 21 62.694 211.677 0.088 0.023 4.199 4.166 1680.211 1666.928 3.959 2.792 30.631 6.555 60 65 210 213 1.053331e+06 7.261526e+03 1.245065e+07 0.00000 1 None 11 3 22 79.617 239.419 0.228 0.273 3.872 4.003 1549.283 1601.803 2.430 3.445 18.800 8.088 80 80 239 240 1.774035e+05 7.685583e+03 3.257471e+05 0.00000 1 None 13 1 23 73.742 244.467 0.215 0.588 3.986 3.974 1594.735 1589.953 2.626 4.957 20.319 11.636 74 74 244 245 1.717895e+05 7.316344e+03 3.252816e+05 0.00000 1 None 14 1 24 216.059 262.886 0.074 0.106 1.234 3.866 493.637 1546.713 2.433 3.880 18.824 9.108 215 217 261 264 3.168740e+05 7.037434e+03 2.341424e+06 0.00000 1 None 15 1 25 11.011 263.752 0.048 0.098 5.199 3.860 2080.083 1544.682 2.004 3.447 15.507 8.093 11 12 263 265 3.472585e+05 7.452626e+03 1.244722e+06 0.00000 1 None 16 1 26 80.997 264.217 0.039 0.029 3.845 3.858 1538.605 1543.590 3.477 3.654 26.898 8.578 79 83 262 267 1.182418e+06 6.929314e+03 2.127436e+07 0.00000 1 None 17 5 27 11.021 268.304 0.029 0.058 5.198 3.834 2080.006 1533.996 1.980 3.241 15.323 7.609 10 12 267 269 5.646688e+05 7.443524e+03 2.528359e+06 0.00000 1 None 18 1 28 82.969 270.116 0.032 0.009 3.807 3.823 1523.343 1529.742 5.039 3.557 38.988 8.349 79 86 267 273 3.021370e+06 6.984623e+03 9.050609e+07 0.00000 1 None 17 5 29 216.003 273.275 0.003 0.003 1.235 3.805 494.074 1522.326 2.375 2.925 18.372 6.866 214 218 271 275 8.650952e+06 7.454515e+03 6.526245e+07 0.00000 1 None 19 2 30 83.153 274.310 0.003 0.006 3.804 3.798 1521.926 1519.897 2.558 4.426 19.795 10.389 81 85 271 277 1.026991e+07 7.176787e+03 1.299060e+08 0.00000 1 None 17 5 31 216.022 275.826 0.003 0.003 1.234 3.790 493.924 1516.338 2.358 2.984 18.245 7.005 214 218 274 278 8.859145e+06 7.348848e+03 6.804268e+07 0.00000 1 None 19 2 32 83.103 278.834 0.070 0.005 3.805 3.772 1522.307 1509.275 7.749 2.844 59.956 6.677 78 86 277 281 3.524946e+06 7.004696e+03 6.802009e+07 0.00000 1 None 17 5 33 10.980 280.811 0.059 0.110 5.199 3.760 2080.321 1504.635 1.762 3.022 13.631 7.095 11 11 280 281 2.083332e+05 7.159233e+03 4.132601e+05 0.00000 1 None 20 1 34 44.570 285.437 0.028 0.038 4.550 3.733 1820.435 1493.774 2.411 3.683 18.656 8.645 43 46 283 287 1.542815e+06 7.803451e+03 1.215652e+07 0.00000 1 None 21 1 35 86.473 285.118 0.003 0.001 3.739 3.735 1496.239 1494.524 2.694 3.120 20.846 7.324 84 88 283 287 1.694626e+07 7.647257e+03 1.308834e+08 0.00000 1 None 17 5 36 101.825 285.216 0.059 0.086 3.443 3.735 1377.457 1494.295 1.969 3.100 15.232 7.276 101 102 284 286 3.156215e+05 7.584641e+03 1.193870e+06 0.00000 1 None 22 1 37 215.987 285.158 0.040 0.046 1.235 3.735 494.197 1494.431 2.232 3.060 17.269 7.183 215 217 284 286 4.978982e+05 7.338364e+03 2.487645e+06 0.00000 1 None 23 1 38 92.073 285.827 0.013 0.015 3.631 3.731 1452.911 1492.860 2.239 3.158 17.322 7.412 91 93 284 288 1.605722e+06 7.281534e+03 1.026762e+07 0.00000 1 None 24 1 39 44.578 301.233 0.009 0.006 4.549 3.641 1820.378 1456.693 2.531 3.057 19.583 7.177 43 46 299 303 5.130308e+06 7.714879e+03 3.945124e+07 0.00000 1 None 25 2 40 86.558 300.878 0.034 0.020 3.738 3.643 1495.576 1457.526 2.499 3.199 19.338 7.509 85 88 299 303 1.351705e+06 7.704388e+03 1.071422e+07 0.00000 1 None 26 2 41 92.022 301.296 0.011 0.011 3.632 3.640 1453.301 1456.546 2.656 3.077 20.552 7.224 90 94 299 303 2.722057e+06 7.318872e+03 2.209912e+07 0.00000 1 None 27 2 42 44.604 305.478 0.007 0.010 4.549 3.616 1820.173 1446.728 2.437 3.563 18.855 8.364 43 46 302 308 5.738431e+06 7.768610e+03 6.161024e+07 0.00000 1 None 25 2 43 86.540 305.251 0.029 0.023 3.738 3.617 1495.720 1447.262 2.520 3.465 19.501 8.134 85 88 302 308 1.642341e+06 7.693351e+03 1.675066e+07 0.00000 1 None 26 2 44 92.090 305.428 0.009 0.014 3.631 3.616 1452.777 1446.846 2.610 3.504 20.192 8.226 90 94 303 307 3.228950e+06 7.336374e+03 2.949386e+07 0.00000 1 None 27 2 45 101.683 305.906 0.096 0.056 3.445 3.613 1378.556 1445.724 2.463 2.943 19.053 6.908 101 102 305 307 3.722038e+05 7.486176e+03 1.622631e+06 0.00000 1 None 28 1 46 44.481 332.284 0.066 0.019 4.551 3.458 1821.125 1383.801 2.953 2.471 22.845 5.800 43 46 331 334 1.065115e+06 7.849788e+03 6.725607e+06 0.00000 1 None 29 3 47 86.490 332.471 0.083 0.044 3.739 3.457 1496.101 1383.363 2.631 2.637 20.358 6.191 85 87 331 334 7.427062e+05 8.287896e+03 4.180573e+06 0.00000 1 None 30 3 48 92.391 332.187 0.063 0.018 3.625 3.459 1450.449 1384.028 2.871 2.423 22.209 5.687 91 94 331 334 9.069529e+05 7.708356e+03 5.567061e+06 0.00000 1 None 31 3 49 101.770 332.388 0.023 0.012 3.444 3.458 1377.880 1383.558 2.882 2.619 22.295 6.148 100 104 331 334 2.033488e+06 7.633451e+03 1.515160e+07 0.00000 1 None 32 3 50 44.672 336.003 0.031 0.013 4.548 3.437 1819.644 1375.071 2.494 2.623 19.295 6.158 43 46 334 338 1.225292e+06 7.667446e+03 8.095900e+06 0.00000 1 None 29 3 51 86.497 336.068 0.049 0.012 3.739 3.436 1496.047 1374.920 2.789 2.486 21.575 5.836 85 88 334 338 1.281450e+06 7.822384e+03 8.250723e+06 0.00000 1 None 30 3 52 92.393 336.068 0.057 0.015 3.625 3.436 1450.433 1374.920 2.954 2.517 22.857 5.909 90 94 334 338 1.028461e+06 7.513050e+03 7.474342e+06 0.00000 1 None 31 3 53 101.817 336.096 0.011 0.004 3.443 3.436 1377.521 1374.854 2.909 2.586 22.503 6.070 100 104 334 338 3.625310e+06 7.305257e+03 2.829868e+07 0.00000 1 None 32 3 54 44.524 340.051 0.099 0.028 4.550 3.413 1820.792 1365.568 2.565 2.361 19.848 5.544 43 45 338 341 5.246921e+05 8.047996e+03 2.990018e+06 0.00000 1 None 29 3 55 86.482 339.937 0.114 0.028 3.739 3.413 1496.165 1365.835 2.730 2.364 21.124 5.549 86 87 338 341 5.153174e+05 7.903462e+03 2.551275e+06 0.00000 1 None 30 3 56 92.774 340.095 0.063 0.030 3.618 3.413 1447.482 1365.465 2.486 2.537 19.236 5.956 92 94 338 341 5.127864e+05 7.632637e+03 2.806145e+06 0.00000 1 None 31 3 57 101.830 339.933 0.023 0.007 3.442 3.413 1377.420 1365.845 3.002 2.417 23.229 5.674 100 104 338 341 1.808716e+06 7.333519e+03 1.380659e+07 0.00000 1 None 32 3 58 207.812 682.995 0.108 0.116 1.393 1.401 557.442 560.505 2.359 3.582 18.249 8.410 207 208 682 686 2.408833e+05 7.273846e+03 1.903171e+06 0.00000 1 None 33 2 59 207.849 685.473 0.095 0.368 1.392 1.386 557.158 554.688 2.291 4.769 17.725 11.194 207 208 682 686 2.505926e+05 7.235916e+03 1.903171e+06 0.00000 1 None 33 2 60 83.181 709.733 0.003 0.006 3.803 1.244 1521.708 497.737 2.355 4.153 18.223 9.749 81 85 708 713 8.769086e+06 7.248262e+03 9.861928e+07 0.00000 1 None 34 2 61 215.997 709.856 0.000 0.001 1.235 1.243 494.117 497.449 2.272 4.197 17.580 9.853 214 218 708 713 4.917259e+07 7.135435e+03 5.500232e+08 0.00000 1 None 35 9 62 219.144 709.974 0.278 0.016 1.174 1.243 469.770 497.171 5.418 2.990 41.922 7.019 215 223 708 712 1.284469e+06 7.463977e+03 4.600338e+08 0.00000 1 None 35 9 63 229.685 710.177 0.059 0.054 0.970 1.241 388.212 496.697 2.011 2.830 15.560 6.643 229 230 709 712 3.981207e+05 7.461299e+03 2.263478e+06 0.00000 1 None 35 9 64 83.220 712.098 0.003 0.003 3.802 1.230 1521.403 492.187 2.418 3.506 18.707 8.230 81 85 709 714 8.866087e+06 7.268204e+03 9.737791e+07 0.00000 1 None 34 2 65 216.013 712.093 0.000 0.001 1.235 1.230 493.996 492.197 2.289 3.782 17.707 8.878 214 218 709 715 5.062544e+07 7.145791e+03 5.663884e+08 0.00000 1 None 35 9 66 224.645 712.791 0.410 0.021 1.068 1.226 427.211 490.559 6.697 2.386 51.816 5.602 220 230 711 714 6.842396e+05 7.138270e+03 2.187374e+07 0.00000 1 None 35 9 67 62.886 716.409 0.008 0.010 4.195 1.205 1678.723 482.065 2.310 2.816 17.875 6.610 61 64 715 718 3.070729e+06 7.728229e+03 2.038985e+07 0.00000 1 None 36 2 68 218.019 716.468 0.001 0.002 1.196 1.204 478.475 481.928 2.399 2.993 18.560 7.027 216 220 714 718 2.192981e+07 7.667191e+03 1.883945e+08 0.00000 1 None 35 9 69 227.748 716.952 0.870 0.062 1.008 1.202 403.199 480.792 6.960 2.879 53.849 6.759 223 230 716 719 2.820341e+05 6.982921e+03 8.736465e+06 0.00000 1 None 35 9 70 62.932 719.030 0.007 0.007 4.195 1.189 1678.370 475.912 2.282 3.192 17.652 7.494 61 64 717 721 3.050889e+06 7.256208e+03 2.407715e+07 0.00000 1 None 36 2 71 218.071 718.999 0.001 0.001 1.195 1.190 478.069 475.986 2.352 3.396 18.199 7.972 216 220 717 721 2.222827e+07 7.213150e+03 1.928066e+08 0.00000 1 None 35 9 72 218.029 722.550 0.053 0.063 1.196 1.169 478.394 467.650 2.822 3.199 21.831 7.509 216 219 721 725 6.496218e+05 7.564338e+03 1.549806e+07 0.00000 1 None 35 9 73 224.277 737.217 0.131 0.093 1.075 1.083 430.059 433.219 2.482 2.954 19.204 6.935 224 225 737 739 2.653973e+05 7.519998e+03 1.280562e+06 0.00000 1 None 37 2 74 224.339 739.699 0.150 0.103 1.074 1.068 429.579 427.393 2.509 2.884 19.409 6.771 224 225 738 740 2.693722e+05 7.704867e+03 1.289889e+06 0.00000 1 None 37 2