REMARK ROI 2D Peak Detection System, File: ./test.ft2 REMARK Detection Levels: -inf and 2.68601e+07 REMARK Detection: X(+/-1) Y(+/-1) REMARK Interpolation: X(+/-1) Y(+/-1) REMARK Noise: 3.44361e+06, 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: 38, Good Peaks: 36, Questionable Peaks: 2 REMARK Clusters: 29, Max Cluster Size: 3 REMARK ROI Spectral Axis Limits: DATA X_AXIS 13C 1 932 164.330ppm 32.325ppm DATA Y_AXIS 1H 1 1229 9.133ppm 1.928ppm 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 1 305.113 115.347 0.216 0.417 121.210 8.462 12196.466 3385.908 2.781 3.151 39.677 7.397 305 305 115 116 2.960353e+07 2.752247e+06 5.588186e+07 0.00000 1 None 1 1 2 154.002 115.929 0.004 0.009 142.636 8.459 14352.390 3384.544 2.239 3.235 31.943 7.595 152 156 114 118 9.207985e+08 2.711048e+06 6.244143e+09 0.00000 1 None 2 1 3 158.809 156.746 0.167 0.211 141.955 8.219 14283.805 3288.725 2.685 2.775 38.302 6.513 158 159 156 157 3.933866e+07 2.760504e+06 1.252430e+08 0.00000 1 None 3 1 4 64.771 163.545 0.004 0.011 155.288 8.179 15625.457 3272.765 2.243 2.921 32.003 6.856 63 66 162 165 1.261665e+09 2.948321e+06 7.037325e+09 0.00000 1 None 4 1 5 67.071 191.327 0.122 0.321 154.962 8.016 15592.653 3207.546 2.352 3.101 33.558 7.279 67 67 191 192 3.651307e+07 2.791502e+06 6.675621e+07 0.00000 1 None 5 1 6 549.000 455.966 0.000 0.745 86.630 6.464 8716.897 2586.305 1.451 5.180 20.697 12.160 549 549 456 456 3.021141e+07 2.822082e+06 3.020876e+07 0.00000 3 None 6 1 7 552.347 455.993 0.003 0.005 86.155 6.463 8669.150 2586.240 2.372 3.259 33.838 7.649 551 554 454 458 1.965910e+09 2.805505e+06 1.561832e+10 0.00000 1 None 7 1 8 551.915 490.105 0.063 0.144 86.216 6.263 8675.310 2506.162 2.422 3.482 34.561 8.174 551 553 488 492 7.186673e+07 2.719875e+06 5.796929e+08 0.00000 1 None 8 1 9 447.713 603.910 0.324 0.221 100.991 5.596 10161.972 2239.005 4.219 3.861 60.189 9.065 447 450 602 605 5.525185e+07 2.627742e+06 5.781793e+08 0.00000 1 None 9 1 10 643.077 727.614 0.069 1.352 73.291 4.870 7374.688 1948.608 2.194 6.298 31.306 14.785 643 644 724 732 5.249656e+07 2.621202e+06 9.629929e+08 0.00000 1 None 10 2 11 642.854 737.019 0.002 0.017 73.322 4.815 7377.871 1926.530 2.108 6.027 30.074 14.149 642 644 733 741 1.676538e+09 2.639450e+06 1.912408e+10 0.00000 1 None 10 2 12 636.782 750.859 0.094 0.322 74.183 4.734 7464.501 1894.042 2.273 4.235 32.427 9.941 636 637 749 752 5.039553e+07 2.706414e+06 2.840660e+08 0.00000 1 None 11 1 13 644.672 761.026 0.127 0.337 73.065 4.674 7351.930 1870.175 2.433 4.514 34.719 10.596 644 645 759 763 5.145267e+07 2.760777e+06 3.711033e+08 0.00000 1 None 12 1 14 640.461 782.000 0.279 10.916 73.662 4.551 7412.006 1820.937 2.458 9.437 35.074 22.153 640 641 782 785 3.198710e+07 2.983113e+06 2.150453e+08 0.00000 1 None 13 2 15 640.212 783.981 0.177 0.608 73.697 4.539 7415.558 1816.286 2.528 4.946 36.062 11.610 640 640 782 785 3.197707e+07 2.649743e+06 1.169013e+08 0.00000 1 None 13 2 16 643.271 804.925 0.186 0.426 73.263 4.416 7371.918 1767.120 2.540 4.174 36.237 9.798 643 644 804 806 3.438552e+07 2.695058e+06 1.675323e+08 0.00000 1 None 14 1 17 642.757 828.341 0.239 0.325 73.336 4.279 7379.254 1712.152 2.766 2.893 39.470 6.792 643 643 828 829 3.218029e+07 2.771674e+06 5.923564e+07 0.00000 1 None 15 1 18 536.692 828.862 0.003 0.009 88.375 4.276 8892.492 1710.929 2.337 4.555 33.338 10.692 535 538 826 832 2.102997e+09 2.723757e+06 2.177908e+10 0.00000 1 None 16 3 19 684.832 829.385 0.065 0.181 67.370 4.273 6778.964 1709.700 2.483 3.375 35.428 7.922 684 686 828 831 8.512909e+07 2.793086e+06 5.840788e+08 0.00000 1 None 17 1 20 530.994 831.019 0.101 0.396 89.183 4.263 8973.794 1705.866 2.503 4.782 35.705 11.226 530 532 829 832 4.403357e+07 2.580022e+06 3.482070e+08 0.00000 1 None 18 1 21 549.728 832.833 0.195 0.400 86.527 4.253 8706.515 1701.606 2.826 4.185 40.320 9.824 549 550 831 834 4.033396e+07 2.657487e+06 2.546941e+08 0.00000 1 None 19 1 22 536.539 836.297 0.635 0.898 88.397 4.232 8894.684 1693.474 3.451 4.597 49.235 10.792 536 539 836 836 2.898728e+07 2.781070e+06 1.313527e+08 0.00000 1 None 16 3 23 539.679 837.123 0.103 0.191 87.951 4.227 8849.877 1691.535 2.608 3.900 37.203 9.155 538 541 835 839 7.154267e+07 2.720232e+06 7.234357e+08 0.00000 1 None 16 3 24 535.974 841.708 0.192 0.248 88.477 4.201 8902.742 1680.771 2.588 2.448 36.929 5.747 536 536 842 842 2.848296e+07 2.884578e+06 2.767027e+07 0.00002 1 None 20 1 25 685.003 843.260 0.004 0.162 67.346 4.191 6776.527 1677.129 2.146 10.920 30.614 25.634 683 687 835 851 7.608963e+08 2.598190e+06 1.828370e+10 0.00000 1 None 21 2 26 536.092 850.440 0.208 0.268 88.460 4.149 8901.063 1660.273 2.866 2.528 40.887 5.934 536 536 850 851 3.554528e+07 2.941650e+06 6.392033e+07 0.00000 1 None 22 2 27 536.957 851.663 0.168 0.342 88.337 4.142 8888.710 1657.403 2.690 3.069 38.373 7.205 537 537 851 852 3.386297e+07 2.778135e+06 6.204628e+07 0.00000 1 None 22 2 28 685.029 852.146 0.004 0.030 67.342 4.139 6776.160 1656.268 2.149 5.509 30.662 12.932 683 687 848 856 8.817642e+08 2.618420e+06 1.187037e+10 0.00000 1 None 21 2 29 547.029 866.812 0.068 0.226 86.909 4.053 8745.021 1621.840 2.256 3.646 32.186 8.559 546 548 865 868 5.708702e+07 2.766553e+06 3.664085e+08 0.00000 1 None 23 1 30 677.883 867.504 0.083 0.333 68.356 4.049 6878.113 1620.215 2.400 3.515 34.235 8.252 677 679 866 870 6.221128e+07 2.928750e+06 5.292537e+08 0.00000 1 None 24 1 31 684.167 873.207 0.127 0.668 67.465 4.016 6788.447 1606.829 2.639 5.622 37.645 13.199 684 685 871 876 4.539148e+07 2.626840e+06 3.955056e+08 0.00000 1 None 25 1 32 691.027 883.209 0.078 0.529 66.492 3.957 6690.581 1583.348 2.414 5.463 34.440 12.824 690 692 881 885 5.289172e+07 2.579159e+06 5.126731e+08 0.00000 1 None 26 1 33 866.848 1075.444 0.016 0.096 41.563 2.829 4182.119 1132.075 2.216 4.129 31.623 9.692 865 868 1072 1078 2.615986e+08 2.752302e+06 3.524539e+09 0.00000 1 None 27 3 34 862.247 1076.896 0.256 0.124 42.215 2.821 4247.756 1128.667 2.412 1.772 34.410 4.159 862 862 1077 1077 3.042331e+07 3.762950e+06 2.959296e+07 0.00019 2 None 28 1 35 866.866 1078.200 0.012 0.051 41.560 2.813 4181.855 1125.606 2.318 4.284 33.072 10.057 865 868 1075 1081 3.639664e+08 2.784490e+06 4.970990e+09 0.00000 1 None 27 3 36 866.927 1080.821 0.009 0.036 41.551 2.798 4180.986 1119.454 2.209 3.945 31.516 9.261 865 868 1078 1084 4.054250e+08 2.681422e+06 4.794796e+09 0.00000 1 None 27 3 37 866.878 1111.000 0.011 12.003 41.558 2.621 4181.686 1048.608 2.265 0.000 32.315 0.000 866 868 1111 1111 3.568912e+08 2.655224e+06 7.618211e+08 0.00000 1 None 29 2 38 866.947 1115.455 0.011 0.180 41.548 2.595 4180.696 1038.150 2.135 5.946 30.463 13.959 866 868 1111 1119 3.239454e+08 2.660944e+06 5.535386e+09 0.00000 1 None 29 2