REMARK ROI 2D Peak Detection System, File: ./test.ft2 REMARK Detection Levels: -1.16614e+08 and 116613 REMARK Detection: X(+/-1) Y(+/-1) REMARK Interpolation: X(+/-1) Y(+/-1) REMARK Noise: 8846.38, 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: 36, Max Cluster Size: 13 REMARK ROI Spectral Axis Limits: DATA X_AXIS 1H 1 234 8.593ppm 3.587ppm DATA Y_AXIS 1H 1 855 8.621ppm 3.611ppm 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 10.547 41.808 0.384 0.163 8.388 8.382 3356.216 3353.925 2.588 2.710 22.245 6.361 11 11 42 42 1.260917e+05 7.483721e+03 1.174027e+05 0.00000 1 None 1 1 2 22.842 72.659 0.135 0.222 8.124 8.201 3250.522 3281.501 1.983 3.015 17.043 7.077 23 23 73 73 1.284593e+05 6.958590e+03 1.237180e+05 0.00000 1 None 2 1 3 19.895 75.868 0.012 0.010 8.187 8.182 3275.858 3273.970 2.231 2.723 19.179 6.392 18 21 74 78 1.795895e+06 7.263518e+03 9.752448e+06 0.00000 1 None 3 2 4 23.014 87.447 0.001 0.001 8.120 8.114 3249.044 3246.789 2.140 3.026 18.400 7.104 21 24 85 89 2.933194e+07 7.432568e+03 1.627600e+08 0.00000 1 None 3 2 5 35.799 133.914 0.200 0.144 7.845 7.842 3139.138 3137.706 2.319 2.858 19.936 6.709 36 36 134 134 1.271027e+05 7.183348e+03 1.249805e+05 0.00000 1 None 4 1 6 125.797 463.298 0.005 0.035 5.912 5.909 2365.463 2364.475 2.146 7.326 18.452 17.199 124 127 460 466 4.445722e+06 6.797647e+03 4.253329e+07 0.00000 1 None 5 1 7 182.594 463.284 0.005 0.016 4.691 5.909 1877.201 2364.508 2.410 6.491 20.719 15.238 181 185 458 466 7.937373e+06 7.068622e+03 8.487122e+07 0.00000 1 None 6 4 8 186.911 463.350 0.005 0.027 4.599 5.909 1840.089 2364.353 2.164 5.605 18.607 13.158 185 188 460 466 3.682022e+06 6.748735e+03 3.370939e+07 0.00000 1 None 6 4 9 198.664 464.080 0.082 0.379 4.346 5.905 1739.058 2362.639 2.374 8.103 20.411 19.023 198 200 462 466 3.922998e+05 7.085611e+03 3.237400e+06 0.00000 1 None 6 4 10 173.873 465.353 0.185 0.062 4.879 5.897 1952.174 2359.650 3.513 2.402 30.204 5.639 171 175 465 466 2.884462e+05 6.924406e+03 2.084754e+06 0.00000 1 None 7 2 11 191.686 465.195 0.166 0.045 4.496 5.898 1799.043 2360.021 3.375 2.627 29.011 6.167 190 194 463 466 3.754150e+05 6.793444e+03 3.295398e+06 0.00000 1 None 6 4 12 167.766 465.784 6.248 0.073 5.010 5.895 2004.677 2358.640 8.788 1.962 75.549 4.606 166 174 466 466 1.342711e+05 6.930556e+03 1.474085e+06 0.00000 1 None 7 2 13 133.020 644.040 0.239 0.309 5.757 4.849 2303.372 1940.182 2.898 4.470 24.912 10.492 133 133 644 646 1.268421e+05 6.579606e+03 4.312998e+05 0.00000 1 None 8 4 14 164.643 644.708 0.357 0.080 5.077 4.845 2031.517 1938.614 2.828 1.960 24.315 4.602 164 165 645 645 1.573782e+05 7.951104e+03 2.750870e+05 0.00000 1 None 9 1 15 169.342 645.072 0.119 0.066 4.976 4.843 1991.124 1937.760 2.522 3.022 21.677 7.094 168 171 643 647 2.917508e+05 6.664481e+03 9.085811e+06 0.00000 1 None 10 9 16 170.949 645.065 0.142 0.061 4.942 4.843 1977.312 1937.777 3.454 3.066 29.693 7.197 169 173 643 647 3.079011e+05 6.579973e+03 1.860456e+07 0.00000 1 None 10 9 17 137.185 646.125 0.056 0.059 5.667 4.837 2267.569 1935.288 1.873 2.683 16.098 6.299 137 138 645 647 2.826636e+05 7.077492e+03 1.003464e+06 0.00000 1 None 11 1 18 231.804 645.842 0.093 0.042 3.634 4.838 1454.166 1935.953 2.072 1.952 17.811 4.582 231 232 645 646 2.784916e+05 9.147184e+03 6.135906e+05 0.00000 1 None 12 1 19 129.485 646.835 0.228 0.027 5.832 4.832 2333.761 1933.622 3.749 2.219 32.225 5.210 126 132 645 647 5.441534e+05 8.445481e+03 5.913608e+06 0.00000 1 None 8 4 20 146.430 646.843 0.115 0.010 5.468 4.832 2188.095 1933.602 3.548 1.773 30.504 4.162 143 149 646 647 8.073378e+05 7.608041e+03 4.323682e+06 0.00000 1 None 10 9 21 124.075 647.850 0.004 0.004 5.949 4.826 2380.263 1931.239 2.011 2.599 17.288 6.101 123 125 646 649 3.972760e+06 7.541830e+03 1.666160e+07 0.00000 1 None 8 4 22 149.414 647.795 0.578 0.026 5.404 4.827 2162.439 1931.367 5.908 2.063 50.788 4.843 148 153 647 648 4.991245e+05 8.542131e+03 3.126850e+06 0.00000 1 None 10 9 23 158.056 648.368 0.140 0.019 5.219 4.823 2088.149 1930.021 5.326 2.253 45.782 5.290 154 162 647 650 8.462141e+05 7.047063e+03 1.784697e+07 0.00000 1 None 10 9 24 162.978 648.471 0.044 0.012 5.113 4.823 2045.830 1929.779 4.498 2.449 38.669 5.749 160 166 647 650 2.019458e+06 7.430333e+03 2.860843e+07 0.00000 1 None 10 9 27 176.322 648.264 0.000 0.000 4.826 4.824 1931.121 1930.266 2.440 2.878 20.975 6.756 174 178 646 650 3.872007e+08 7.350617e+03 2.473760e+09 0.00000 1 None 10 9 28 141.948 648.535 0.057 0.079 5.565 4.822 2226.617 1929.630 2.098 2.629 18.040 6.171 141 143 648 649 3.736053e+05 8.173272e+03 1.277272e+06 0.00000 1 None 10 9 29 153.616 648.587 0.081 0.021 5.314 4.822 2126.320 1929.509 3.186 2.247 27.385 5.275 152 156 648 649 9.063164e+05 7.628561e+03 5.040076e+06 0.00000 1 None 10 9 30 108.311 650.295 0.202 0.102 6.287 4.812 2515.781 1925.499 2.154 2.110 18.521 4.953 108 109 650 651 1.441134e+05 7.825707e+03 4.515932e+05 0.00000 1 None 13 1 31 121.809 650.830 0.017 0.037 5.997 4.809 2399.750 1924.243 1.937 3.886 16.648 9.123 121 122 650 654 9.974497e+05 7.065305e+03 5.907892e+06 0.00000 1 None 8 4 32 138.935 651.135 0.139 0.048 5.629 4.807 2252.526 1923.527 2.561 1.996 22.014 4.686 138 139 651 651 1.989499e+05 7.455604e+03 3.376627e+05 0.00000 1 None 14 1 33 200.566 651.146 0.266 0.046 4.305 4.807 1722.708 1923.500 2.567 1.768 22.069 4.151 200 201 651 651 2.133403e+05 9.107612e+03 3.652249e+05 0.00000 1 None 15 1 34 212.362 651.091 0.291 0.050 4.052 4.807 1621.304 1923.631 2.532 1.703 21.768 3.999 212 213 651 651 1.541493e+05 8.262708e+03 2.894662e+05 0.00000 1 None 16 1 35 226.725 651.098 0.249 0.061 3.743 4.807 1497.831 1923.612 2.333 1.767 20.058 4.148 227 227 651 651 1.315591e+05 8.119196e+03 1.271647e+05 0.00000 1 None 17 1 36 125.828 662.724 0.055 0.147 5.911 4.739 2365.194 1896.322 1.990 4.062 17.109 9.534 125 126 660 666 3.203878e+05 6.959538e+03 2.435337e+06 0.00000 1 None 18 3 37 180.186 662.584 0.141 0.370 4.743 4.740 1897.901 1896.650 2.511 4.587 21.586 10.769 180 181 661 664 2.027899e+05 6.917132e+03 1.223433e+06 0.00000 1 None 19 1 38 191.709 662.820 0.130 0.168 4.496 4.739 1798.846 1896.096 2.361 3.903 20.297 9.162 191 192 661 665 2.280577e+05 7.012899e+03 1.561446e+06 0.00000 1 None 20 1 39 125.806 670.984 0.004 0.007 5.912 4.691 2365.387 1876.931 2.193 4.026 18.851 9.450 124 127 668 674 4.826540e+06 6.937754e+03 4.683306e+07 0.00000 1 None 18 3 40 182.627 671.300 0.019 0.026 4.691 4.689 1876.921 1876.189 2.454 3.970 21.096 9.320 181 185 668 674 1.931321e+06 7.190217e+03 2.338027e+07 0.00000 1 None 21 4 41 186.938 671.062 0.004 0.008 4.598 4.690 1839.860 1876.747 2.216 4.078 19.050 9.573 185 188 668 674 4.331140e+06 6.832576e+03 4.315093e+07 0.00000 1 None 21 4 42 198.692 671.259 0.018 0.028 4.346 4.689 1738.814 1876.285 2.356 3.992 20.250 9.370 197 200 668 674 1.673054e+06 7.107901e+03 1.780674e+07 0.00000 1 None 22 1 43 121.990 672.130 0.089 0.099 5.993 4.684 2398.188 1874.240 2.515 3.456 21.617 8.114 120 124 670 674 2.588076e+05 6.631680e+03 4.752796e+06 0.00000 1 None 18 3 44 179.450 672.220 0.248 0.105 4.759 4.684 1904.231 1874.029 2.335 2.360 20.070 5.541 179 181 672 674 1.623174e+05 7.722583e+03 1.977486e+06 0.00000 1 None 21 4 45 203.643 672.191 0.095 0.105 4.239 4.684 1696.253 1874.097 2.428 3.859 20.874 9.059 203 205 670 674 3.631049e+05 6.966217e+03 2.919966e+06 0.00000 1 None 23 1 46 179.368 673.642 0.186 0.391 4.761 4.675 1904.936 1870.691 2.029 3.833 17.444 8.999 179 179 672 674 1.367272e+05 7.339916e+03 3.930514e+05 0.00000 1 None 21 4 47 125.817 686.658 0.010 0.029 5.911 4.599 2365.291 1840.136 2.153 4.277 18.513 10.040 124 127 684 690 2.052058e+06 6.988142e+03 1.948911e+07 0.00000 1 None 24 1 48 182.641 687.003 0.008 0.008 4.690 4.597 1876.798 1839.325 2.413 4.096 20.747 9.614 181 185 684 690 4.357894e+06 7.089530e+03 4.654377e+07 0.00000 1 None 25 3 49 186.927 687.001 0.008 0.017 4.598 4.597 1839.955 1839.332 2.252 4.436 19.361 10.413 185 188 684 690 2.369124e+06 6.787470e+03 2.402744e+07 0.00000 1 None 25 3 50 198.719 687.018 0.008 0.010 4.345 4.597 1738.582 1839.292 2.356 4.139 20.252 9.716 197 200 684 690 3.493412e+06 6.986816e+03 3.624835e+07 0.00000 1 None 26 4 51 203.708 687.105 0.015 0.018 4.238 4.596 1695.698 1839.087 2.440 4.132 20.975 9.699 202 205 684 690 2.116351e+06 6.977432e+03 2.273002e+07 0.00000 1 None 26 4 52 179.470 688.203 0.219 0.124 4.759 4.590 1904.062 1836.510 2.355 2.794 20.247 6.560 179 181 688 690 1.871268e+05 7.606571e+03 2.753096e+06 0.00000 1 None 25 3 53 191.661 688.479 3.225 0.121 4.497 4.588 1799.258 1835.861 6.390 2.102 54.932 4.934 191 197 688 689 1.480148e+05 7.734569e+03 2.669839e+06 0.00000 1 None 26 4 54 195.002 688.454 0.444 0.101 4.425 4.588 1770.542 1835.921 4.131 2.163 35.513 5.077 192 198 688 690 1.739046e+05 7.466848e+03 8.074607e+06 0.00000 1 None 26 4 55 125.832 704.004 0.126 0.219 5.911 4.497 2365.165 1799.417 2.104 4.022 18.086 9.442 126 126 703 705 1.508588e+05 6.838466e+03 4.008778e+05 0.00000 1 None 27 1 56 180.213 704.294 0.113 0.302 4.743 4.495 1897.672 1798.735 2.389 4.918 20.537 11.546 180 181 702 706 2.355222e+05 6.924782e+03 1.631067e+06 0.00000 1 None 28 1 57 191.663 704.264 0.141 0.288 4.497 4.496 1799.239 1798.806 2.322 4.637 19.960 10.886 191 192 703 706 2.192449e+05 7.061964e+03 1.347644e+06 0.00000 1 None 29 1 58 199.296 704.501 0.167 0.530 4.333 4.494 1733.620 1798.250 2.260 4.583 19.425 10.760 199 200 703 706 1.689878e+05 7.137196e+03 1.016686e+06 0.00000 1 None 30 1 59 125.708 729.443 0.090 0.363 5.914 4.348 2366.228 1739.698 1.866 4.076 16.045 9.567 125 126 728 731 2.212685e+05 7.442418e+03 1.169436e+06 0.00000 1 None 31 1 60 182.662 730.080 0.017 0.022 4.690 4.344 1876.621 1738.202 2.399 4.419 20.623 10.374 181 185 727 733 1.984173e+06 7.022132e+03 2.205019e+07 0.00000 1 None 32 13 61 186.942 729.955 0.004 0.010 4.598 4.345 1839.822 1738.497 2.215 4.571 19.037 10.731 185 188 727 733 4.252856e+06 6.775800e+03 4.006186e+07 0.00000 1 None 32 13 62 198.768 730.244 0.011 0.024 4.344 4.343 1738.159 1737.817 2.351 4.677 20.213 10.980 197 201 727 733 2.497701e+06 6.904902e+03 2.630785e+07 0.00000 1 None 32 13 63 203.742 730.052 0.004 0.006 4.237 4.344 1695.404 1738.270 2.420 4.545 20.801 10.669 202 206 727 733 6.950356e+06 6.893096e+03 7.921446e+07 0.00000 1 None 32 13 64 191.814 732.201 0.115 0.054 4.493 4.332 1797.944 1733.224 3.254 3.014 27.974 7.075 190 194 731 734 4.110543e+05 6.808893e+03 4.195427e+06 0.00000 1 None 32 13 65 195.128 732.092 0.570 0.068 4.422 4.332 1769.458 1733.481 5.796 2.791 49.828 6.552 191 199 731 733 2.347863e+05 6.642144e+03 1.305063e+07 0.00000 1 None 32 13 66 213.606 732.341 0.074 0.075 4.025 4.331 1610.609 1732.895 2.765 3.840 23.766 9.015 212 215 730 735 6.596577e+05 7.103314e+03 6.879716e+06 0.00000 1 None 32 13 67 203.798 741.603 0.026 0.120 4.236 4.276 1694.921 1711.151 2.296 4.905 19.736 11.514 203 205 739 745 9.624286e+05 7.122438e+03 1.983624e+07 0.00000 1 None 32 13 68 182.782 749.000 0.110 1.811 4.687 4.233 1875.591 1693.788 2.163 6.780 18.591 15.917 182 183 747 751 2.239838e+05 7.314578e+03 1.551553e+06 0.00000 1 None 32 13 69 186.970 748.715 0.013 0.054 4.597 4.235 1839.588 1694.458 2.226 5.247 19.137 12.317 185 188 745 753 1.415227e+06 6.768967e+03 1.634819e+07 0.00000 1 None 32 13 70 198.787 748.722 0.005 0.014 4.344 4.235 1737.999 1694.440 2.324 4.985 19.977 11.703 197 201 745 753 5.118690e+06 6.896862e+03 6.386542e+07 0.00000 1 None 32 13 71 203.859 748.679 0.002 0.005 4.235 4.235 1694.399 1694.541 2.324 4.830 19.975 11.339 202 206 746 752 1.477246e+07 6.863344e+03 1.712684e+08 0.00000 1 None 32 13 72 195.148 750.611 0.727 0.104 4.422 4.224 1769.285 1690.006 6.955 3.026 59.793 7.102 190 200 750 752 2.881074e+05 6.800906e+03 2.312975e+07 0.00000 1 None 32 13 73 213.911 779.692 0.235 4.577 4.019 4.053 1607.980 1621.737 2.760 10.599 23.726 24.881 214 214 778 779 1.264905e+05 6.762619e+03 2.499458e+05 0.00000 1 None 33 1 74 199.318 784.506 0.081 0.311 4.332 4.025 1733.438 1610.438 2.241 5.025 19.264 11.796 199 200 782 787 3.526856e+05 7.129718e+03 2.842806e+06 0.00000 1 None 34 1 75 213.730 784.581 0.041 0.126 4.023 4.024 1609.541 1610.261 2.531 5.265 21.760 12.361 212 215 781 789 7.996399e+05 6.916157e+03 1.128948e+07 0.00000 1 None 35 1 76 227.890 836.623 0.059 0.077 3.718 3.719 1487.810 1488.091 2.226 2.886 19.137 6.775 227 229 835 838 3.751765e+05 7.348648e+03 1.983616e+06 0.00000 1 None 36 1