REMARK ROI 2D Peak Detection System, File: /data/spectra/expnmr_00103_2.ft2 REMARK Detection Levels: -1.31986e+08 and 131985 REMARK Detection: X(+/-1) Y(+/-1) REMARK Interpolation: X(+/-1) Y(+/-1) REMARK Noise: 10970, 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: 75, Good Peaks: 75, Questionable Peaks: 0 REMARK Clusters: 47, Max Cluster Size: 6 REMARK ROI Spectral Axis Limits: DATA X_AXIS 1H 1 115 5.294ppm 1.865ppm DATA Y_AXIS 1H 1 557 5.227ppm 1.965ppm 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 6.557 19.820 0.008 0.004 5.127 5.117 2051.412 2047.460 2.325 2.634 27.986 6.184 5 8 18 22 6.243562e+06 9.627401e+03 3.320679e+07 0.00000 1 None 1 1 2 33.239 19.805 0.040 0.028 4.324 5.117 1730.291 2047.495 2.273 2.682 27.361 6.296 32 34 18 21 8.389068e+05 9.142932e+03 4.073334e+06 0.00000 1 None 2 1 3 9.792 36.270 0.003 0.003 5.030 5.020 2012.478 2008.843 2.161 2.816 26.007 6.610 8 11 34 38 9.592790e+06 9.226737e+03 5.044038e+07 0.00000 1 None 3 1 4 29.004 36.122 0.028 0.037 4.452 5.021 1781.266 2009.190 1.894 2.839 22.800 6.664 28 30 35 37 6.463359e+05 9.172203e+03 2.404894e+06 0.00000 1 None 4 1 5 40.965 71.819 0.034 0.070 4.092 4.812 1637.305 1925.392 1.745 3.183 20.999 7.472 40 41 70 73 4.141201e+05 8.254189e+03 1.582636e+06 0.00000 1 None 5 1 6 17.131 74.231 0.000 0.000 4.809 4.798 1924.152 1919.729 2.302 2.827 27.706 6.637 15 18 72 76 7.307074e+07 8.941883e+03 4.245246e+08 0.00000 1 None 6 1 7 9.830 134.634 0.033 0.163 5.028 4.443 2012.029 1777.932 1.830 4.703 22.028 11.041 9 10 133 137 5.707978e+05 8.789871e+03 3.161462e+06 0.00000 1 None 7 1 8 29.018 134.791 0.008 0.023 4.451 4.442 1781.090 1777.565 2.109 4.487 25.388 10.533 28 30 132 138 2.702720e+06 8.471015e+03 2.146918e+07 0.00000 1 None 8 1 9 49.845 134.882 0.022 0.039 3.825 4.442 1530.440 1777.350 2.256 4.179 27.155 9.810 48 51 132 137 1.211762e+06 8.505069e+03 1.020093e+07 0.00000 1 None 9 1 10 60.054 134.941 0.079 0.172 3.518 4.442 1407.573 1777.211 2.281 4.566 27.453 10.718 59 62 133 136 3.058880e+05 8.370045e+03 2.821123e+06 0.00000 1 None 10 2 11 63.541 134.840 0.077 0.084 3.413 4.442 1365.604 1777.450 2.420 4.104 29.128 9.634 62 65 133 137 6.643238e+05 9.063288e+03 5.658357e+06 0.00000 1 None 10 2 12 6.709 155.699 0.136 0.813 5.122 4.320 2049.593 1728.484 1.855 5.838 22.328 13.704 7 7 155 157 1.675510e+05 8.933418e+03 4.429052e+05 0.00000 1 None 11 1 13 33.243 156.618 0.011 0.031 4.324 4.314 1730.246 1726.327 2.276 4.464 27.386 10.479 31 34 154 160 2.788852e+06 8.705961e+03 2.464748e+07 0.00000 1 None 12 1 14 42.322 156.715 0.033 0.057 4.051 4.314 1620.982 1726.098 2.395 4.337 28.829 10.182 41 44 154 159 1.225638e+06 8.763574e+03 1.084946e+07 0.00000 1 None 13 1 15 48.986 156.734 0.017 0.054 3.851 4.314 1540.770 1726.053 2.109 4.405 25.382 10.341 48 50 154 159 1.212972e+06 8.510136e+03 9.496074e+06 0.00000 1 None 14 1 16 56.440 156.816 0.162 0.214 3.626 4.313 1451.066 1725.860 2.296 4.141 27.639 9.720 56 57 155 158 2.759217e+05 9.103896e+03 1.645599e+06 0.00000 1 None 15 1 17 33.245 200.423 0.048 0.092 4.324 4.057 1730.218 1623.494 2.262 3.693 27.219 8.669 32 34 199 203 6.875506e+05 8.906599e+03 6.176545e+06 0.00000 1 None 16 2 18 48.979 200.507 0.013 0.045 3.851 4.057 1540.856 1623.295 2.171 3.940 26.132 9.248 47 50 198 204 1.750398e+06 8.762952e+03 2.120189e+07 0.00000 1 None 17 2 19 42.379 200.997 0.101 0.232 4.049 4.054 1620.287 1622.147 2.491 6.302 29.982 14.795 41 43 199 206 4.559918e+05 8.597402e+03 7.779544e+06 0.00000 1 None 18 2 20 56.451 200.745 0.159 0.770 3.626 4.056 1450.933 1622.736 2.348 7.690 28.260 18.053 56 57 199 207 2.910018e+05 8.884812e+03 4.682405e+06 0.00000 1 None 19 2 21 33.255 204.549 0.042 0.217 4.324 4.033 1730.098 1613.808 2.237 5.758 26.929 13.517 32 34 201 207 7.340139e+05 8.638348e+03 8.879148e+06 0.00000 1 None 16 2 22 42.439 204.917 0.103 0.219 4.048 4.031 1619.565 1612.944 2.578 6.353 31.030 14.913 41 44 200 207 5.301426e+05 8.780048e+03 8.903702e+06 0.00000 1 None 18 2 23 48.986 204.759 0.011 0.057 3.851 4.032 1540.768 1613.314 2.158 5.838 25.967 13.704 47 50 201 207 1.903506e+06 8.350828e+03 2.454171e+07 0.00000 1 None 17 2 24 56.458 204.970 0.136 0.243 3.626 4.031 1450.842 1612.820 2.432 5.607 29.275 13.163 56 57 201 207 3.723313e+05 8.957146e+03 3.827602e+06 0.00000 1 None 19 2 25 47.923 227.854 0.019 0.012 3.883 3.896 1553.572 1559.099 2.716 2.848 32.690 6.686 46 50 226 230 1.900253e+06 8.635260e+03 1.515248e+07 0.00000 1 None 20 3 26 63.557 227.581 0.192 0.136 3.412 3.898 1365.410 1559.740 2.467 2.820 29.691 6.621 63 64 227 228 2.977849e+05 9.578088e+03 1.033162e+06 0.00000 1 None 21 1 27 33.308 233.462 0.131 0.286 4.322 3.864 1729.462 1545.934 2.086 3.649 25.111 8.565 33 34 232 236 2.458978e+05 9.379804e+03 1.806404e+06 0.00000 1 None 22 2 29 48.876 232.963 0.008 0.004 3.854 3.866 1542.092 1547.106 3.005 2.942 36.171 6.907 47 51 231 235 5.573056e+06 8.419183e+03 5.106970e+07 0.00000 1 None 20 3 30 63.486 232.783 0.097 0.046 3.415 3.868 1366.259 1547.527 2.492 2.718 29.988 6.381 63 64 231 234 6.043632e+05 9.450720e+03 2.881725e+06 0.00000 1 None 23 1 31 56.622 234.384 0.231 0.157 3.621 3.858 1448.876 1543.770 2.289 2.531 27.551 5.941 56 57 234 236 1.976691e+05 9.756175e+03 9.751928e+05 0.00000 1 None 24 2 32 33.315 237.643 0.041 0.038 4.322 3.839 1729.378 1536.118 2.173 2.741 26.151 6.434 32 34 236 239 8.785108e+05 9.426765e+03 4.261257e+06 0.00000 1 None 22 2 34 49.121 237.829 0.001 0.001 3.847 3.838 1539.154 1535.683 2.353 3.122 28.323 7.329 47 51 236 240 2.111416e+07 8.743650e+03 1.479358e+08 0.00000 1 None 20 3 35 56.605 237.813 0.053 0.031 3.622 3.838 1449.082 1535.721 2.169 2.547 26.108 5.980 56 57 236 239 7.622822e+05 9.733528e+03 3.249392e+06 0.00000 1 None 24 2 36 63.531 242.085 0.040 0.071 3.413 3.813 1365.718 1525.692 2.395 5.404 28.825 12.687 62 65 238 246 1.233615e+06 9.005126e+03 1.589949e+07 0.00000 1 None 25 2 37 29.045 242.800 0.033 0.112 4.450 3.809 1780.771 1524.013 2.004 4.593 24.124 10.782 28 30 240 245 5.736296e+05 8.465102e+03 4.796929e+06 0.00000 1 None 26 1 38 60.070 242.704 0.050 0.143 3.517 3.809 1407.381 1524.239 2.286 4.497 27.518 10.557 59 62 240 245 4.995202e+05 8.415967e+03 6.605882e+06 0.00000 1 None 25 2 39 49.026 271.222 0.030 0.077 3.849 3.642 1540.293 1457.292 2.204 4.286 26.527 10.062 48 50 269 274 7.556634e+05 8.495999e+03 8.823400e+06 0.00000 1 None 27 3 40 56.331 271.467 0.072 0.077 3.630 3.641 1452.372 1456.716 2.602 3.301 31.320 7.749 55 58 269 273 7.194248e+05 9.108736e+03 5.714095e+06 0.00000 1 None 28 3 41 33.253 271.738 0.120 0.075 4.324 3.639 1730.119 1456.081 2.451 2.612 29.496 6.132 33 34 271 272 3.307410e+05 9.071389e+03 1.049202e+06 0.00000 1 None 29 1 42 42.382 271.702 0.090 0.035 4.049 3.639 1620.254 1456.166 2.732 2.452 32.881 5.755 41 44 271 274 6.896448e+05 9.281397e+03 3.921948e+06 0.00000 1 None 30 2 43 49.029 275.108 0.014 0.015 3.849 3.619 1540.258 1448.170 2.283 3.107 27.477 7.293 47 50 273 277 1.810136e+06 8.709997e+03 1.242393e+07 0.00000 1 None 27 3 44 33.270 275.876 0.093 0.047 4.323 3.615 1729.923 1446.368 2.490 2.661 29.963 6.247 32 34 275 277 4.378588e+05 8.937720e+03 2.148982e+06 0.00000 1 None 31 1 45 42.399 275.887 0.063 0.019 4.049 3.615 1620.052 1446.342 2.779 2.493 33.440 5.852 41 44 274 277 9.901180e+05 9.039825e+03 5.812594e+06 0.00000 1 None 30 2 46 56.474 275.578 0.064 0.037 3.625 3.616 1450.650 1447.066 2.762 2.927 33.240 6.871 55 58 274 278 1.147857e+06 9.325013e+03 8.723641e+06 0.00000 1 None 28 3 47 49.028 279.182 0.024 0.023 3.849 3.595 1540.269 1438.605 2.300 2.877 27.678 6.753 48 50 277 281 1.104923e+06 8.864371e+03 7.130920e+06 0.00000 1 None 27 3 48 33.281 279.975 0.261 0.154 4.323 3.591 1729.786 1436.745 2.461 2.952 29.618 6.929 33 33 280 280 1.530237e+05 8.867658e+03 1.490105e+05 0.00000 1 None 32 1 49 42.484 280.096 0.264 0.070 4.046 3.590 1619.025 1436.460 2.876 2.585 34.612 6.068 42 43 279 281 2.876918e+05 9.070562e+03 1.256964e+06 0.00000 1 None 33 1 50 56.580 279.621 0.111 0.077 3.622 3.593 1449.376 1437.577 2.594 2.986 31.213 7.010 55 58 278 281 5.306279e+05 9.245445e+03 3.843076e+06 0.00000 1 None 28 3 51 28.987 288.482 0.120 0.232 4.452 3.541 1781.460 1416.773 2.080 2.984 25.039 7.005 29 29 288 289 1.968169e+05 9.412468e+03 3.656345e+05 0.00000 1 None 34 1 52 49.636 288.388 0.134 0.067 3.831 3.541 1532.952 1416.995 2.746 2.619 33.054 6.149 48 51 287 289 4.675804e+05 9.344268e+03 2.907891e+06 0.00000 1 None 35 1 53 60.007 288.599 0.065 0.061 3.519 3.540 1408.134 1416.499 2.560 2.691 30.805 6.316 59 62 287 291 5.211571e+05 9.026909e+03 4.009641e+06 0.00000 1 None 36 6 54 63.371 288.568 0.191 0.082 3.418 3.540 1367.643 1416.571 2.931 2.554 35.274 5.996 61 64 288 289 3.822815e+05 9.259699e+03 2.301420e+06 0.00000 1 None 36 6 55 29.013 292.648 0.055 0.078 4.451 3.516 1781.157 1406.995 2.133 2.861 25.668 6.715 28 30 292 294 4.308632e+05 9.147549e+03 1.899438e+06 0.00000 1 None 37 1 56 49.680 292.721 0.050 0.019 3.830 3.516 1532.425 1406.823 2.859 2.504 34.414 5.879 48 51 291 295 1.203004e+06 9.026357e+03 8.589886e+06 0.00000 1 None 38 2 57 60.039 292.728 0.028 0.021 3.518 3.516 1407.751 1406.807 2.535 2.643 30.515 6.205 58 62 291 295 1.161862e+06 8.868812e+03 8.083722e+06 0.00000 1 None 36 6 58 63.441 292.762 0.097 0.025 3.416 3.516 1366.800 1406.727 3.073 2.440 36.983 5.727 61 65 291 294 8.604328e+05 9.065089e+03 7.030714e+06 0.00000 1 None 36 6 59 29.010 296.811 0.094 0.102 4.452 3.492 1781.193 1397.221 2.166 2.838 26.070 6.662 29 29 296 297 2.478058e+05 8.982394e+03 4.425254e+05 0.00000 1 None 39 1 60 49.732 296.893 0.062 0.021 3.828 3.491 1531.795 1397.029 2.819 2.463 33.931 5.782 48 51 295 298 8.345055e+05 8.830469e+03 5.577052e+06 0.00000 1 None 38 2 61 60.057 296.805 0.049 0.030 3.518 3.492 1407.534 1397.237 2.582 2.564 31.072 6.018 59 62 295 298 6.722837e+05 8.807005e+03 4.297336e+06 0.00000 1 None 36 6 62 63.395 296.849 0.154 0.035 3.417 3.492 1367.354 1397.133 3.084 2.396 37.116 5.626 61 64 296 298 4.982825e+05 8.940253e+03 3.579864e+06 0.00000 1 None 36 6 63 29.023 309.004 0.058 0.244 4.451 3.420 1781.034 1368.599 2.016 5.618 24.258 13.188 28 30 307 313 3.194780e+05 8.359643e+03 3.402167e+06 0.00000 1 None 40 2 64 49.686 309.223 0.031 0.061 3.830 3.419 1532.352 1368.085 2.631 5.288 31.668 12.415 48 51 306 313 1.493329e+06 8.524977e+03 2.456694e+07 0.00000 1 None 41 1 65 60.060 308.899 0.058 0.151 3.518 3.421 1407.493 1368.845 2.308 4.965 27.775 11.655 59 62 307 313 4.263166e+05 8.340863e+03 5.589760e+06 0.00000 1 None 42 3 66 63.444 309.275 0.114 0.327 3.416 3.419 1366.770 1367.962 2.632 6.613 31.682 15.523 61 64 307 314 5.061874e+05 8.746377e+03 8.214300e+06 0.00000 1 None 42 3 67 29.017 312.706 0.087 1.628 4.451 3.399 1781.110 1359.909 1.997 9.883 24.035 23.201 29 29 307 315 2.086318e+05 8.258932e+03 2.055656e+06 0.00000 1 None 40 2 68 60.050 313.000 0.112 12.374 3.518 3.397 1407.616 1359.218 2.211 16.124 26.614 37.851 60 60 307 315 2.029969e+05 8.319444e+03 2.429142e+06 0.00000 1 None 42 3 69 102.478 509.632 0.386 0.222 2.242 2.243 896.989 897.623 2.465 2.668 29.661 6.262 102 103 510 510 1.564548e+05 9.780392e+03 2.766932e+05 0.00000 1 None 43 1 70 103.802 516.300 0.179 0.150 2.202 2.204 881.056 881.970 2.416 2.784 29.074 6.536 103 104 516 517 1.997136e+05 9.148951e+03 6.213149e+05 0.00000 1 None 44 1 71 106.767 533.050 0.070 0.025 2.113 2.106 845.367 842.649 2.336 2.120 28.109 4.977 106 108 532 535 5.314375e+05 9.842238e+03 1.050490e+07 0.00000 1 None 45 5 72 107.830 536.812 0.001 0.001 2.081 2.084 832.569 833.818 2.312 2.631 27.824 6.176 106 110 535 539 3.065358e+07 9.057233e+03 1.573445e+08 0.00000 1 None 45 5 74 101.813 538.056 1.465 0.030 2.262 2.077 904.985 830.899 7.217 1.511 86.858 3.548 101 104 538 538 2.037699e+05 8.774227e+03 9.002047e+05 0.00000 1 None 46 1 76 109.076 543.515 0.001 0.001 2.043 2.045 817.580 818.082 2.145 2.963 25.811 6.956 108 111 542 546 3.603068e+07 9.432071e+03 1.897833e+08 0.00000 1 None 45 5 77 98.308 545.096 0.539 0.032 2.367 2.035 947.168 814.372 4.118 1.605 49.558 3.769 97 99 545 545 2.338357e+05 9.306124e+03 5.676888e+05 0.00000 1 None 47 1 79 109.044 546.610 0.039 0.053 2.044 2.026 817.964 810.818 2.361 3.014 28.420 7.075 108 110 545 549 7.586086e+05 9.223581e+03 2.795423e+07 0.00000 1 None 45 5 80 108.742 553.526 0.278 0.986 2.053 1.986 821.601 794.583 2.511 5.348 30.219 12.554 109 109 550 554 1.426717e+05 8.614676e+03 8.649599e+05 0.00000 1 None 45 5