REMARK ROI 2D Peak Detection System, File: ./test.ft2 REMARK Detection Levels: -1.89856e+08 and 189855 REMARK Detection: X(+/-1) Y(+/-1) REMARK Interpolation: X(+/-1) Y(+/-1) REMARK Noise: 8236.84, 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: 56, Good Peaks: 56, Questionable Peaks: 0 REMARK Clusters: 28, Max Cluster Size: 9 REMARK ROI Spectral Axis Limits: DATA X_AXIS 1H 1 233 7.720ppm 0.543ppm DATA Y_AXIS 1H 1 1230 7.790ppm 0.580ppm 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 10.757 64.990 0.126 0.077 7.419 7.415 2968.427 2966.794 2.887 3.467 35.735 8.138 10 11 64 67 2.969394e+05 6.348427e+03 1.843685e+06 0.00000 1 None 1 2 2 15.144 64.936 0.057 0.067 7.283 7.415 2914.114 2966.922 2.222 3.398 27.510 7.977 15 16 64 67 3.432633e+05 6.498160e+03 1.783800e+06 0.00000 1 None 2 2 3 10.792 67.787 0.138 0.106 7.418 7.398 2967.988 2960.229 2.857 3.384 35.367 7.944 10 11 66 68 2.547465e+05 6.402970e+03 1.317365e+06 0.00000 1 None 1 2 4 15.151 67.817 0.080 0.113 7.283 7.398 2914.025 2960.158 2.197 3.445 27.200 8.088 15 15 66 68 2.425230e+05 6.560807e+03 6.941171e+05 0.00000 1 None 2 2 5 11.206 75.591 0.247 0.201 7.405 7.352 2962.860 2941.909 3.318 3.503 41.069 8.223 11 11 75 76 1.986176e+05 6.491694e+03 3.817002e+05 0.00000 1 None 3 1 6 13.628 82.655 0.137 0.176 7.330 7.311 2932.886 2925.325 2.450 3.749 30.323 8.800 13 14 82 83 2.556181e+05 6.751522e+03 8.903348e+05 0.00000 1 None 4 1 7 10.801 88.320 0.073 0.053 7.417 7.278 2967.883 2912.028 2.923 3.100 36.190 7.278 10 12 87 90 5.142688e+05 6.549544e+03 3.876531e+06 0.00000 1 None 5 2 8 10.845 91.102 0.078 0.114 7.416 7.261 2967.327 2905.496 2.793 4.718 34.572 11.076 10 12 88 92 3.851714e+05 6.266875e+03 4.946980e+06 0.00000 1 None 5 2 9 58.533 298.344 0.013 0.013 5.941 6.045 2376.995 2418.994 2.325 3.235 28.776 7.593 57 60 296 300 2.862498e+06 7.082020e+03 2.361471e+07 0.00000 1 None 6 4 10 55.439 299.093 0.009 0.004 6.036 6.041 2415.297 2417.236 2.789 2.940 34.526 6.903 53 57 297 301 5.250800e+06 6.727126e+03 4.806582e+07 0.00000 1 None 6 4 11 104.425 298.897 0.078 0.057 4.521 6.042 1808.901 2417.696 2.323 3.253 28.752 7.636 104 105 298 301 4.366496e+05 6.925390e+03 2.435001e+06 0.00000 1 None 7 2 12 55.467 303.054 0.007 0.002 6.035 6.018 2414.958 2407.937 2.868 2.814 35.500 6.606 53 57 301 305 8.136599e+06 6.763939e+03 6.911597e+07 0.00000 1 None 6 4 13 58.574 303.214 0.007 0.007 5.939 6.017 2376.493 2407.563 2.201 3.310 27.245 7.771 57 60 301 305 4.223918e+06 7.148257e+03 3.383535e+07 0.00000 1 None 6 4 14 104.381 302.973 0.047 0.026 4.522 6.018 1809.439 2408.128 2.338 2.894 28.944 6.795 104 105 301 304 6.900734e+05 6.909475e+03 3.411558e+06 0.00000 1 None 7 2 15 55.463 316.001 0.010 0.004 6.036 5.942 2415.004 2377.543 2.852 3.298 35.307 7.741 53 57 314 318 5.277322e+06 6.653656e+03 5.407166e+07 0.00000 1 None 8 4 16 58.619 316.409 0.005 0.007 5.938 5.940 2375.930 2376.585 2.267 3.622 28.058 8.503 57 60 313 319 6.723794e+06 6.938848e+03 6.585789e+07 0.00000 1 None 8 4 17 104.324 315.910 0.090 0.116 4.524 5.942 1810.143 2377.757 2.007 3.532 24.845 8.291 104 104 316 316 2.433114e+05 6.921495e+03 2.303429e+05 0.00000 1 None 9 1 18 55.704 320.369 0.034 0.021 6.028 5.916 2412.021 2367.291 4.005 4.055 49.581 9.519 53 59 317 323 2.329524e+06 6.322755e+03 9.298131e+07 0.00000 1 None 8 4 19 58.666 320.293 0.006 0.012 5.936 5.917 2375.359 2367.468 2.286 4.391 28.296 10.308 57 60 317 323 4.825820e+06 6.622964e+03 6.423454e+07 0.00000 1 None 8 4 20 81.847 440.145 0.053 0.108 5.219 5.214 2088.389 2086.115 2.119 4.089 26.235 9.598 81 82 439 441 3.345109e+05 6.467778e+03 1.457430e+06 0.00000 1 None 10 1 21 205.959 507.901 0.075 0.104 1.380 4.816 551.998 1927.058 2.237 3.514 27.686 8.250 206 206 508 510 2.239842e+05 6.070066e+03 8.871624e+05 0.00000 1 None 11 3 22 173.151 510.017 0.023 0.023 2.395 4.804 958.131 1922.091 2.051 2.882 25.391 6.765 173 174 508 511 7.030461e+05 6.383689e+03 3.275184e+06 0.00000 1 None 12 1 23 230.784 509.689 0.098 0.125 0.612 4.806 244.693 1922.860 1.877 2.668 23.236 6.264 231 231 510 510 2.106792e+05 8.537178e+03 1.999428e+05 0.00000 1 None 13 1 24 56.222 512.261 0.353 0.043 6.012 4.790 2405.608 1916.823 4.389 2.073 54.337 4.867 55 59 512 512 2.674867e+05 6.902515e+03 1.476061e+06 0.00000 1 None 14 9 25 60.077 512.200 0.075 0.014 5.893 4.791 2357.885 1916.966 3.777 2.050 46.752 4.813 57 63 512 513 7.263768e+05 6.643451e+03 5.681460e+06 0.00000 1 None 14 9 26 67.208 511.998 0.135 0.012 5.672 4.792 2269.609 1917.440 4.680 2.130 57.933 5.001 64 70 511 513 7.055217e+05 6.456352e+03 8.793816e+06 0.00000 1 None 14 9 27 70.753 511.850 0.398 0.011 5.562 4.793 2225.725 1917.788 8.700 2.123 107.695 4.984 65 77 511 513 8.749217e+05 6.333814e+03 2.278448e+07 0.00000 1 None 14 9 28 74.149 511.860 0.072 0.010 5.457 4.793 2183.681 1917.764 4.547 2.327 56.289 5.463 71 77 510 513 1.112924e+06 6.267662e+03 1.542631e+07 0.00000 1 None 14 9 29 77.022 512.118 0.150 0.009 5.369 4.791 2148.121 1917.159 6.939 2.254 85.898 5.292 72 82 511 514 1.117418e+06 6.311759e+03 2.742327e+07 0.00000 1 None 14 9 31 95.406 511.845 0.000 0.000 4.800 4.793 1920.546 1917.799 2.562 2.640 31.711 6.197 93 97 510 514 1.396627e+08 6.908160e+03 8.294357e+08 0.00000 1 None 14 9 32 205.920 511.635 0.015 0.010 1.381 4.794 552.487 1918.292 2.494 2.330 30.873 5.469 205 208 510 513 1.747933e+06 6.985420e+03 1.001120e+07 0.00000 1 None 11 3 33 213.312 511.826 0.476 0.018 1.152 4.793 460.983 1917.843 6.425 1.939 79.533 4.552 208 216 511 512 4.541425e+05 6.428880e+03 6.569132e+06 0.00000 1 None 11 3 34 228.650 512.232 0.132 0.064 0.678 4.791 271.102 1916.890 2.320 2.368 28.724 5.558 228 229 512 512 2.693494e+05 7.890090e+03 4.686916e+05 0.00000 1 None 15 2 35 62.800 512.558 0.212 0.046 5.809 4.789 2324.176 1916.126 4.651 2.556 57.575 6.001 60 66 512 513 4.969870e+05 6.858958e+03 6.070146e+06 0.00000 1 None 14 9 36 224.748 512.876 0.179 0.019 0.798 4.787 319.409 1915.379 3.877 1.884 47.993 4.423 224 228 512 513 4.080770e+05 6.688053e+03 2.355842e+06 0.00000 1 None 15 2 37 203.053 514.351 0.033 0.025 1.469 4.778 587.980 1911.916 2.190 2.206 27.113 5.177 202 204 514 516 6.661931e+05 7.843279e+03 2.744254e+06 0.00000 1 None 16 1 38 98.428 528.025 0.084 0.074 4.706 4.698 1883.131 1879.817 2.345 3.733 29.026 8.762 98 99 525 529 4.027800e+05 6.734765e+03 2.712663e+06 0.00000 1 None 14 9 39 55.338 559.107 0.031 0.031 6.039 4.516 2416.553 1806.852 2.523 3.934 31.237 9.235 54 56 557 561 1.075609e+06 6.507969e+03 8.675953e+06 0.00000 1 None 17 1 40 104.398 559.036 0.005 0.004 4.522 4.516 1809.235 1807.019 2.450 3.729 30.332 8.753 102 106 556 562 7.172978e+06 6.690472e+03 6.347354e+07 0.00000 1 None 18 1 42 222.010 720.798 0.065 0.135 0.883 3.567 353.302 1427.282 2.341 4.167 28.978 9.782 222 222 720 724 2.917321e+05 6.317197e+03 1.287878e+06 0.00000 1 None 19 3 43 135.700 723.291 0.032 0.030 3.553 3.552 1421.746 1421.429 2.313 3.058 28.634 7.178 135 137 721 725 9.014422e+05 6.837388e+03 5.629389e+06 0.00000 1 None 20 1 44 222.003 723.148 0.068 0.284 0.883 3.553 353.393 1421.764 2.258 5.949 27.947 13.966 222 222 720 727 2.580563e+05 6.246278e+03 2.040952e+06 0.00000 1 None 19 3 45 222.025 725.950 0.068 0.066 0.882 3.537 353.113 1415.188 2.412 3.209 29.860 7.532 222 223 724 727 3.006121e+05 6.399692e+03 1.612979e+06 0.00000 1 None 19 3 46 149.121 794.283 0.001 0.001 3.138 3.136 1255.598 1254.774 2.210 3.043 27.355 7.144 148 151 792 796 2.806171e+07 6.712600e+03 1.649202e+08 0.00000 1 None 21 4 47 140.297 795.431 1.220 0.039 3.411 3.129 1364.842 1252.080 8.535 2.036 105.652 4.781 138 146 795 796 3.499842e+05 6.748609e+03 6.308749e+06 0.00000 1 None 21 4 50 135.822 795.699 0.389 0.047 3.549 3.128 1420.229 1251.450 4.770 2.112 59.047 4.958 135 139 795 796 2.555189e+05 6.531526e+03 2.263162e+06 0.00000 1 None 21 4 51 149.899 798.071 0.005 0.011 3.114 3.114 1245.973 1245.883 2.127 4.216 26.332 9.896 149 151 795 801 3.247871e+06 6.420013e+03 7.749783e+07 0.00000 1 None 21 4 52 188.892 1003.190 0.005 0.005 1.908 1.910 763.272 764.363 2.225 2.864 27.538 6.722 188 190 1001 1005 3.904099e+06 6.698980e+03 2.107832e+07 0.00000 1 None 22 1 53 200.885 1064.798 0.053 0.082 1.537 1.549 614.814 619.740 2.419 3.864 29.946 9.071 200 202 1063 1068 4.200952e+05 6.394335e+03 4.692464e+06 0.00000 1 None 23 2 54 200.894 1067.639 0.054 0.079 1.536 1.532 614.703 613.069 2.406 3.297 29.779 7.741 200 202 1066 1069 4.189094e+05 6.613631e+03 2.978776e+06 0.00000 1 None 23 2 55 135.682 1174.374 0.116 0.093 3.554 0.906 1421.962 362.510 2.489 2.889 30.816 6.783 135 136 1174 1175 2.986180e+05 6.885651e+03 9.953599e+05 0.00000 1 None 24 1 56 200.808 1174.381 0.167 0.126 1.539 0.906 615.764 362.493 2.789 2.889 34.531 6.782 201 201 1174 1174 2.117774e+05 6.737934e+03 2.026827e+05 0.00000 1 None 25 1 57 135.737 1177.723 0.110 0.178 3.552 0.886 1421.280 354.646 2.318 3.909 28.700 9.176 136 136 1177 1178 2.341826e+05 6.579500e+03 4.333817e+05 0.00000 1 None 26 1 58 222.045 1177.548 0.012 0.023 0.882 0.887 352.877 355.057 2.184 3.242 27.031 7.610 221 223 1176 1180 1.611832e+06 6.791149e+03 1.034634e+07 0.00000 1 None 27 2 59 135.744 1180.687 0.111 0.090 3.552 0.869 1421.199 347.690 2.422 2.835 29.984 6.655 135 136 1180 1181 2.635356e+05 6.812632e+03 8.596712e+05 0.00000 1 None 28 1 60 222.078 1180.559 0.049 0.074 0.881 0.870 352.465 347.989 2.340 3.080 28.968 7.229 221 223 1179 1182 4.482998e+05 6.752295e+03 3.826044e+06 0.00000 1 None 27 2