REMARK ROI 2D Peak Detection System, File: ./test.ft2 REMARK Detection Levels: -4.33315e+08 and 433315 REMARK Detection: X(+/-1) Y(+/-1) REMARK Interpolation: X(+/-1) Y(+/-1) REMARK Noise: 9554.7, 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: 85, Good Peaks: 85, Questionable Peaks: 0 REMARK Clusters: 41, Max Cluster Size: 9 REMARK ROI Spectral Axis Limits: DATA X_AXIS 1H 1 111 4.846ppm 1.065ppm DATA Y_AXIS 1H 1 625 4.759ppm 1.098ppm 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 7.714 27.134 0.011 0.019 4.616 4.606 1846.831 1843.035 2.231 4.305 30.684 10.107 6 9 24 30 2.459918e+06 7.596876e+03 2.961092e+07 0.00000 1 None 1 1 2 12.452 27.180 0.015 0.018 4.453 4.606 1781.657 1842.927 2.388 4.172 32.852 9.793 11 13 24 30 2.897964e+06 7.895418e+03 3.246685e+07 0.00000 1 None 2 1 3 44.203 27.104 0.024 0.041 3.361 4.606 1344.945 1843.107 2.247 4.207 30.908 9.875 44 45 24 30 1.021792e+06 7.466283e+03 9.300775e+06 0.00000 1 None 3 1 4 54.658 27.281 0.035 0.065 3.002 4.605 1201.140 1842.690 2.356 4.484 32.404 10.527 54 55 24 30 1.007596e+06 7.643577e+03 9.972231e+06 0.00000 1 None 4 1 5 61.025 27.140 0.018 0.040 2.783 4.606 1113.564 1843.021 2.185 4.200 30.049 9.860 60 62 24 30 1.055491e+06 7.386746e+03 1.145961e+07 0.00000 1 None 5 1 6 44.190 54.230 0.046 0.308 3.362 4.447 1345.120 1779.427 2.089 7.047 28.738 16.542 44 44 54 54 4.538218e+05 7.339111e+03 4.454237e+05 0.00000 1 None 6 1 7 7.714 54.617 0.010 0.050 4.616 4.445 1846.830 1778.519 2.166 6.035 29.790 14.168 6 9 51 59 2.764674e+06 7.543827e+03 3.863606e+07 0.00000 1 None 7 1 8 12.410 54.645 0.018 0.052 4.454 4.445 1782.235 1778.455 2.244 5.160 30.862 12.112 12 13 52 58 2.017138e+06 7.835177e+03 1.985346e+07 0.00000 1 None 8 1 9 54.657 54.753 0.028 0.076 3.002 4.444 1201.144 1778.199 2.370 5.554 32.603 13.038 54 55 52 58 1.246698e+06 7.569329e+03 1.270440e+07 0.00000 1 None 9 1 10 61.012 54.609 0.015 0.106 2.783 4.445 1113.744 1778.539 2.174 6.119 29.898 14.365 60 62 52 58 1.274952e+06 7.298947e+03 1.558731e+07 0.00000 1 None 10 1 11 7.695 239.356 0.044 0.224 4.616 3.361 1847.084 1344.844 1.879 5.281 25.838 12.397 8 8 239 240 4.763847e+05 7.786211e+03 8.930895e+05 0.00000 1 None 11 1 12 44.197 240.458 0.013 0.175 3.361 3.355 1345.014 1342.257 2.219 8.695 30.521 20.412 43 45 236 245 1.772083e+06 7.318007e+03 2.723799e+07 0.00000 1 None 12 1 13 78.225 240.431 0.027 0.197 2.192 3.355 876.987 1342.319 2.228 6.800 30.644 15.962 78 79 238 244 9.348104e+05 7.396669e+03 9.062932e+06 0.00000 1 None 13 1 14 92.006 240.338 0.039 0.254 1.718 3.355 687.430 1342.539 2.457 6.889 33.796 16.171 92 92 238 243 6.060063e+05 7.172002e+03 3.367683e+06 0.00000 1 None 14 2 15 95.532 240.460 0.027 0.079 1.597 3.355 638.934 1342.253 2.675 5.947 36.788 13.962 94 97 236 244 2.019328e+06 7.711262e+03 3.304512e+07 0.00000 1 None 15 1 16 100.949 240.452 0.014 0.108 1.411 3.355 564.428 1342.269 2.330 6.462 32.052 15.170 100 102 236 245 1.532436e+06 7.255684e+03 2.320268e+07 0.00000 1 None 16 1 17 92.007 241.852 0.041 0.146 1.718 3.346 687.411 1338.984 2.528 6.156 34.767 14.452 92 92 238 243 6.189596e+05 7.209640e+03 3.367683e+06 0.00000 1 None 14 2 18 54.573 297.616 0.008 0.036 3.005 3.019 1202.302 1208.077 2.448 7.021 33.671 16.483 53 56 295 303 5.461263e+06 7.687699e+03 8.955358e+07 0.00000 1 None 17 2 19 12.470 302.449 0.067 0.089 4.452 2.991 1781.413 1196.732 2.170 3.265 29.853 7.664 12 13 302 304 5.923152e+05 8.514816e+03 2.942786e+06 0.00000 1 None 18 1 20 54.598 303.404 0.007 0.016 3.004 2.985 1201.964 1194.490 2.451 4.947 33.716 11.613 53 56 299 306 6.215114e+06 7.721873e+03 8.224057e+07 0.00000 1 None 17 2 21 61.027 303.825 0.018 0.120 2.783 2.983 1113.537 1193.503 2.034 6.542 27.978 15.358 61 62 302 305 9.057511e+05 7.350423e+03 4.924741e+06 0.00000 1 None 19 1 22 7.753 336.023 0.033 0.023 4.614 2.794 1846.287 1117.917 2.039 2.554 28.048 5.996 7 8 336 337 7.264862e+05 8.211509e+03 1.937864e+06 0.00000 1 None 20 1 23 12.446 336.058 0.036 0.014 4.453 2.794 1781.741 1117.836 2.330 2.471 32.054 5.801 12 13 335 337 1.180805e+06 8.376259e+03 4.681839e+06 0.00000 1 None 21 1 24 61.040 336.315 0.003 0.003 2.782 2.792 1113.354 1117.231 2.385 2.807 32.803 6.590 59 62 334 338 9.309159e+06 7.835208e+03 5.431233e+07 0.00000 1 None 22 1 25 54.786 336.820 0.018 0.009 2.997 2.789 1199.376 1116.047 2.582 2.588 35.514 6.076 53 56 336 338 1.910714e+06 7.600621e+03 1.082063e+07 0.00000 1 None 23 1 26 7.791 341.489 0.040 0.075 4.613 2.762 1845.767 1105.086 1.863 2.831 25.631 6.645 8 8 341 342 5.474679e+05 8.931097e+03 9.557292e+05 0.00000 1 None 24 1 27 12.467 341.799 0.052 0.024 4.452 2.760 1781.445 1104.357 2.339 2.510 32.168 5.893 12 13 341 342 8.783288e+05 8.559876e+03 2.753814e+06 0.00000 1 None 25 1 28 61.090 341.941 0.003 0.002 2.781 2.759 1112.659 1104.025 2.483 2.615 34.155 6.138 59 63 340 344 8.581895e+06 7.652804e+03 5.044746e+07 0.00000 1 None 26 1 29 44.167 435.846 0.034 0.047 3.362 2.208 1345.438 883.582 2.175 3.478 29.922 8.164 44 45 435 438 6.539940e+05 7.581370e+03 3.630918e+06 0.00000 1 None 27 2 30 91.977 436.218 0.035 0.022 1.719 2.206 687.830 882.709 2.636 2.584 36.254 6.067 91 94 435 438 8.288612e+05 7.445881e+03 9.629671e+06 0.00000 1 None 28 9 31 95.514 436.116 0.018 0.008 1.597 2.207 639.184 882.947 2.771 3.149 38.113 7.392 94 97 434 438 3.420175e+06 7.793727e+03 3.433706e+07 0.00000 1 None 28 9 32 100.946 436.093 0.011 0.009 1.411 2.207 564.462 883.003 2.505 3.100 34.457 7.276 100 102 434 438 2.419886e+06 7.384994e+03 1.990257e+07 0.00000 1 None 28 9 33 44.188 438.454 0.034 0.113 3.362 2.193 1345.148 877.460 1.941 3.686 26.696 8.652 44 44 435 439 5.961531e+05 8.069361e+03 2.740869e+06 0.00000 1 None 27 2 34 78.218 438.963 0.002 0.001 2.192 2.190 877.084 876.264 2.403 2.818 33.050 6.615 77 80 437 441 1.334705e+07 7.713717e+03 8.925854e+07 0.00000 1 None 29 2 35 91.922 439.606 0.029 0.058 1.721 2.186 688.581 874.755 2.457 3.388 33.794 7.954 91 94 438 442 1.019351e+06 7.947348e+03 1.544506e+07 0.00000 1 None 28 9 36 95.533 438.987 0.011 0.004 1.597 2.190 638.923 876.208 2.798 2.834 38.483 6.653 94 97 437 441 5.534664e+06 7.864855e+03 4.912958e+07 0.00000 1 None 28 9 37 100.954 439.039 0.008 0.006 1.410 2.189 564.355 876.086 2.531 3.066 34.809 7.197 99 103 437 441 3.243841e+06 7.451377e+03 3.041923e+07 0.00000 1 None 28 9 38 44.220 441.944 0.039 0.023 3.361 2.172 1344.697 869.268 2.268 2.585 31.191 6.069 44 45 441 442 7.016874e+05 7.813151e+03 1.971689e+06 0.00000 1 None 30 1 39 78.266 441.472 0.008 0.020 2.190 2.175 876.417 870.375 2.326 4.179 31.987 9.811 77 80 438 444 4.219098e+06 7.823593e+03 9.772234e+07 0.00000 1 None 29 2 40 91.956 442.695 0.034 0.158 1.720 2.168 688.114 867.504 2.545 4.839 35.001 11.360 91 94 440 443 8.529089e+05 7.801445e+03 1.226648e+07 0.00000 1 None 28 9 41 95.550 441.969 0.015 0.006 1.596 2.172 638.687 869.209 2.808 2.965 38.623 6.960 94 97 440 444 3.857732e+06 7.852447e+03 3.674772e+07 0.00000 1 None 28 9 42 100.962 442.022 0.010 0.008 1.410 2.172 564.239 869.084 2.551 3.116 35.089 7.315 100 102 440 444 2.699548e+06 7.511926e+03 2.195160e+07 0.00000 1 None 28 9 43 91.888 513.300 0.056 0.072 1.722 1.754 689.059 701.759 2.587 3.500 35.584 8.216 92 92 513 515 5.395818e+05 7.533825e+03 1.473911e+06 0.00000 1 None 31 7 44 78.199 516.486 0.040 0.112 2.193 1.735 877.336 694.279 2.243 4.102 30.854 9.628 78 79 516 519 6.599892e+05 7.704745e+03 4.549062e+06 0.00000 1 None 32 3 45 91.958 516.293 0.042 0.054 1.720 1.736 688.095 694.733 2.638 3.480 36.286 8.169 91 94 514 518 7.060671e+05 7.537094e+03 9.446533e+06 0.00000 1 None 31 7 46 95.491 517.237 0.034 0.148 1.598 1.731 639.499 692.516 2.735 8.969 37.620 21.055 93 97 513 524 1.695691e+06 7.592115e+03 5.129914e+07 0.00000 1 None 31 7 47 100.950 516.882 0.018 0.156 1.411 1.733 564.413 693.350 2.323 8.985 31.947 21.092 100 102 513 523 1.164442e+06 7.060449e+03 2.744186e+07 0.00000 1 None 33 3 48 44.175 519.169 0.051 0.073 3.362 1.719 1345.318 687.981 2.198 3.560 30.232 8.356 44 44 519 519 4.549701e+05 7.555616e+03 4.472267e+05 0.00000 1 None 34 1 49 78.211 519.013 0.035 0.049 2.192 1.720 877.173 688.348 2.284 4.020 31.413 9.437 78 79 516 522 7.498538e+05 7.516053e+03 7.509204e+06 0.00000 1 None 32 3 50 95.513 519.164 0.028 0.021 1.597 1.719 639.199 687.992 2.740 3.914 37.686 9.188 94 97 516 522 2.107151e+06 7.832706e+03 3.201470e+07 0.00000 1 None 31 7 51 100.955 519.287 0.016 0.033 1.410 1.719 564.334 687.704 2.398 4.071 32.986 9.557 100 102 516 522 1.534054e+06 7.453256e+03 1.979811e+07 0.00000 1 None 33 3 52 92.000 519.674 0.028 0.049 1.718 1.716 687.509 686.795 2.577 3.803 35.449 8.928 91 94 517 523 9.517621e+05 7.292785e+03 1.749192e+07 0.00000 1 None 31 7 53 78.210 522.027 0.043 0.065 2.192 1.703 877.182 681.272 2.276 4.134 31.308 9.704 78 79 519 523 5.996544e+05 7.519910e+03 5.123168e+06 0.00000 1 None 32 3 54 92.001 522.635 0.029 0.184 1.718 1.699 687.497 679.844 2.459 5.566 33.828 13.067 91 94 519 524 8.828974e+05 7.530099e+03 1.483497e+07 0.00000 1 None 31 7 55 95.534 521.943 0.034 0.022 1.597 1.703 638.904 681.468 2.753 3.918 37.862 9.197 94 97 519 525 1.716835e+06 7.789089e+03 2.648943e+07 0.00000 1 None 31 7 56 100.959 522.115 0.018 0.032 1.410 1.702 564.280 681.064 2.426 4.258 33.367 9.996 100 102 519 525 1.339965e+06 7.388026e+03 1.737264e+07 0.00000 1 None 33 3 57 44.180 535.942 0.024 0.038 3.362 1.621 1345.253 648.606 2.160 3.949 29.716 9.271 44 45 535 539 9.255652e+05 7.476643e+03 7.855064e+06 0.00000 1 None 35 3 58 78.211 536.455 0.010 0.022 2.192 1.618 877.181 647.402 2.274 3.902 31.280 9.160 77 79 533 539 2.846825e+06 7.698642e+03 3.391598e+07 0.00000 1 None 36 3 59 91.971 536.247 0.016 0.020 1.719 1.619 687.908 647.891 2.505 3.364 34.457 7.896 91 94 534 538 1.636668e+06 7.427580e+03 2.172502e+07 0.00000 1 None 37 9 60 95.497 536.360 0.012 0.009 1.598 1.619 639.416 647.625 2.756 3.555 37.909 8.346 93 97 533 539 5.375608e+06 7.947099e+03 8.558945e+07 0.00000 1 None 37 9 61 100.932 536.342 0.008 0.014 1.411 1.619 564.653 647.668 2.411 3.692 33.156 8.667 99 102 533 539 3.243281e+06 7.468681e+03 4.403920e+07 0.00000 1 None 37 9 62 44.196 539.072 0.018 0.022 3.361 1.603 1345.035 641.259 2.172 3.493 29.870 8.199 44 45 537 541 1.283542e+06 7.562132e+03 8.188534e+06 0.00000 1 None 35 3 63 78.215 539.380 0.007 0.018 2.192 1.601 877.118 640.535 2.268 4.373 31.192 10.265 77 79 536 542 3.983380e+06 7.587860e+03 4.665144e+07 0.00000 1 None 36 3 64 95.526 539.345 0.007 0.007 1.597 1.601 639.011 640.618 2.708 3.757 37.245 8.819 94 97 536 542 8.006408e+06 7.906102e+03 1.107451e+08 0.00000 1 None 37 9 65 100.944 539.427 0.005 0.012 1.411 1.601 564.495 640.426 2.396 3.979 32.951 9.341 99 103 536 542 4.991334e+06 7.552997e+03 6.640926e+07 0.00000 1 None 37 9 66 91.972 539.757 0.011 0.016 1.719 1.599 687.903 639.650 2.539 3.646 34.923 8.560 91 94 537 543 2.318030e+06 7.275533e+03 4.308612e+07 0.00000 1 None 37 9 67 44.211 542.120 0.022 0.050 3.361 1.585 1344.827 634.104 2.114 4.501 29.071 10.565 44 45 539 544 9.924622e+05 7.459876e+03 9.464427e+06 0.00000 1 None 35 3 68 78.224 541.578 0.009 0.138 2.192 1.588 876.997 635.375 2.241 10.192 30.825 23.925 77 79 535 547 2.933462e+06 7.354435e+03 6.622639e+07 0.00000 1 None 36 3 69 95.560 542.152 0.008 0.028 1.596 1.585 638.553 634.029 2.635 7.789 36.242 18.284 94 97 536 548 5.933018e+06 7.638291e+03 1.533448e+08 0.00000 1 None 37 9 70 100.946 542.599 0.006 0.255 1.411 1.582 564.469 632.979 2.356 13.720 32.400 32.208 99 103 533 548 3.628921e+06 7.260517e+03 1.043184e+08 0.00000 1 None 37 9 71 92.007 542.760 0.017 0.030 1.718 1.581 687.421 632.601 2.593 4.105 35.670 9.636 91 94 540 546 1.555921e+06 7.242355e+03 3.443453e+07 0.00000 1 None 37 9 72 44.185 568.855 0.026 0.051 3.362 1.428 1345.186 571.341 2.159 4.165 29.700 9.776 44 45 568 572 8.490736e+05 7.478269e+03 6.900692e+06 0.00000 1 None 38 3 73 78.216 568.934 0.013 0.012 2.192 1.427 877.103 571.157 2.338 3.392 32.161 7.962 77 79 567 571 2.158109e+06 7.542070e+03 1.749144e+07 0.00000 1 None 39 3 74 91.986 569.259 0.019 0.021 1.719 1.426 687.703 570.395 2.548 3.197 35.051 7.505 91 94 567 571 1.400100e+06 7.387625e+03 1.736064e+07 0.00000 1 None 40 5 75 95.534 569.004 0.014 0.006 1.597 1.427 638.897 570.993 2.769 3.200 38.081 7.512 94 97 567 571 4.020805e+06 7.743097e+03 4.002648e+07 0.00000 1 None 40 5 76 100.956 569.075 0.006 0.007 1.410 1.427 564.331 570.826 2.423 3.662 33.325 8.597 99 103 566 572 4.085036e+06 7.314616e+03 5.600390e+07 0.00000 1 None 41 3 77 44.201 571.806 0.024 0.033 3.361 1.411 1344.971 564.414 2.188 3.429 30.091 8.050 44 45 570 574 9.931186e+05 7.641644e+03 6.202688e+06 0.00000 1 None 38 3 78 78.218 571.977 0.012 0.010 2.192 1.410 877.077 564.013 2.360 3.225 32.465 7.570 77 79 570 574 2.402532e+06 7.613647e+03 1.876742e+07 0.00000 1 None 39 3 79 91.980 572.250 0.016 0.022 1.719 1.408 687.792 563.373 2.534 3.580 34.860 8.405 91 94 569 575 1.686233e+06 7.453727e+03 2.868557e+07 0.00000 1 None 40 5 80 95.546 572.026 0.013 0.005 1.596 1.409 638.735 563.898 2.777 3.122 38.198 7.329 94 97 570 574 4.619695e+06 7.795241e+03 4.475337e+07 0.00000 1 None 40 5 81 100.971 572.008 0.005 0.005 1.410 1.409 564.115 563.942 2.443 3.483 33.608 8.176 99 103 570 574 4.914422e+06 7.394491e+03 4.708861e+07 0.00000 1 None 41 3 82 44.223 574.750 0.044 0.071 3.361 1.393 1344.669 557.504 2.161 3.600 29.729 8.452 44 44 572 575 5.496963e+05 7.642374e+03 2.648180e+06 0.00000 1 None 38 3 83 78.231 574.917 0.020 0.025 2.192 1.392 876.899 557.111 2.332 3.874 32.082 9.095 77 79 572 577 1.435636e+06 7.563337e+03 1.808197e+07 0.00000 1 None 39 3 84 95.561 574.859 0.021 0.019 1.596 1.393 638.533 557.249 2.699 4.322 37.118 10.145 94 97 572 578 2.580359e+06 7.748773e+03 4.419340e+07 0.00000 1 None 40 5 85 100.986 574.728 0.008 0.025 1.409 1.393 563.912 557.556 2.387 4.857 32.835 11.401 100 102 572 578 2.798452e+06 7.371870e+03 4.095698e+07 0.00000 1 None 41 3