REMARK ROI 2D Peak Detection System, File: ./test.ft2 REMARK Detection Levels: -70779.2 and 200779 REMARK Detection: X(+/-1) Y(+/-1) REMARK Interpolation: X(+/-1) Y(+/-1) REMARK Noise: 21796.5, 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: 82, Good Peaks: 80, Questionable Peaks: 2 REMARK Clusters: 23, Max Cluster Size: 35 REMARK Parent Spectral Axis Limits: DATA X_AXIS N15 1 512 136.398ppm 100.255ppm DATA Y_AXIS H1 1 512 14.783ppm 4.793ppm 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 1 321.973 199.998 0.043 0.026 113.695 10.893 6906.880 6529.523 3.368 2.978 14.471 34.899 320 324 198 202 1.550155e+06 1.673820e+04 1.707983e+07 0.00000 1 None 1 1 2 332.883 221.163 0.030 0.021 112.924 10.479 6860.003 6281.473 3.135 2.905 13.471 34.047 331 335 219 223 2.086692e+06 1.695480e+04 2.064751e+07 0.00000 1 None 2 1 3 183.873 264.665 0.079 0.101 123.463 9.628 7500.272 5771.635 3.654 3.990 15.701 46.758 181 187 262 268 1.094129e+06 1.680785e+04 2.431006e+07 0.00000 1 None 3 2 4 179.285 266.400 0.093 0.113 123.788 9.594 7519.989 5751.302 3.355 3.815 14.415 44.706 177 181 263 269 1.027612e+06 1.715804e+04 1.755247e+07 0.00000 1 None 3 2 5 235.338 286.849 0.136 0.052 119.823 9.195 7279.137 5511.638 3.998 3.228 17.179 37.837 232 238 285 289 1.064016e+06 1.688859e+04 1.803703e+07 0.00000 1 None 4 35 6 181.983 296.801 0.052 0.031 123.597 9.000 7508.396 5395.000 3.721 3.000 15.989 35.161 179 185 295 299 1.594395e+06 1.684064e+04 2.191543e+07 0.00000 1 None 5 1 7 221.801 298.358 0.155 0.079 120.781 8.969 7337.305 5376.757 4.926 3.531 21.167 41.380 219 226 295 301 1.145892e+06 1.683912e+04 2.592235e+07 0.00000 1 None 6 1 8 236.523 299.988 0.221 0.060 119.739 8.938 7274.047 5357.658 4.360 3.599 18.732 42.175 234 240 297 303 1.029945e+06 1.700036e+04 2.488831e+07 0.00000 1 None 4 35 9 198.475 311.232 0.092 0.031 122.431 8.718 7437.532 5225.869 3.481 2.755 14.955 32.291 196 200 309 313 1.542125e+06 1.769798e+04 1.570756e+07 0.00000 1 None 4 35 10 233.010 312.233 0.064 0.051 119.988 8.698 7289.140 5214.142 3.808 3.421 16.362 40.099 230 236 310 314 1.346729e+06 1.676784e+04 2.428320e+07 0.00000 1 None 4 35 11 213.790 314.626 0.091 0.067 121.347 8.651 7371.726 5186.103 3.790 3.279 16.283 38.427 211 217 313 317 1.197112e+06 1.709960e+04 1.893904e+07 0.00000 1 None 4 35 12 133.729 316.336 0.055 0.031 127.010 8.618 7715.733 5166.059 3.191 2.636 13.713 30.894 132 136 314 318 1.612671e+06 1.771070e+04 1.391529e+07 0.00000 1 None 7 1 13 223.207 317.807 0.117 0.054 120.681 8.589 7331.261 5148.816 4.402 3.429 18.913 40.190 220 226 316 320 1.195090e+06 1.668916e+04 2.191615e+07 0.00000 1 None 4 35 14 383.824 319.352 0.045 0.035 109.321 8.559 6641.121 5130.705 3.094 2.764 13.294 32.395 382 386 317 321 1.593089e+06 1.757773e+04 1.424755e+07 0.00000 1 None 8 1 15 208.933 320.242 0.270 0.134 121.691 8.542 7392.597 5120.281 5.452 3.883 23.425 45.506 205 213 317 323 6.595642e+05 1.652078e+04 2.148834e+07 0.00000 1 None 4 35 16 267.813 321.122 0.143 0.052 117.526 8.524 7139.597 5109.964 4.694 3.365 20.170 39.436 265 271 319 323 1.069984e+06 1.663350e+04 2.048491e+07 0.00000 1 None 4 35 17 223.424 327.287 0.281 0.186 120.666 8.404 7330.332 5037.713 4.063 4.140 17.459 48.516 221 226 324 330 6.129030e+05 1.699143e+04 1.510644e+07 0.00000 1 None 4 35 18 236.924 327.396 2.157 0.775 119.711 8.402 7272.324 5036.433 9.192 4.930 39.495 57.782 236 239 327 330 2.401168e+05 1.668887e+04 3.604013e+06 0.00000 1 None 4 35 19 251.344 327.050 2.069 0.511 118.691 8.409 7210.361 5040.486 7.238 5.016 31.101 58.787 250 252 326 331 2.273445e+05 1.652866e+04 4.266173e+06 0.00000 1 None 4 35 20 299.418 326.727 0.254 0.119 115.291 8.415 7003.797 5044.269 3.824 3.653 16.432 42.814 296 302 324 330 7.675623e+05 1.753941e+04 1.758939e+07 0.00000 1 None 9 9 21 246.009 330.343 0.064 0.063 119.068 8.344 7233.288 5001.892 3.549 3.256 15.247 38.156 243 249 328 332 1.198122e+06 1.705648e+04 1.817547e+07 0.00000 1 None 4 35 22 225.092 331.191 0.313 0.849 120.548 8.328 7323.161 4991.959 5.033 8.782 21.627 102.922 222 229 325 337 4.869715e+05 1.633707e+04 3.435445e+07 0.00000 1 None 4 35 23 258.801 331.553 3.111 2.353 118.164 8.321 7178.322 4987.717 9.404 7.021 40.407 82.287 259 259 331 331 2.040305e+05 1.665186e+04 2.013272e+05 0.00000 1 None 10 1 24 296.192 331.358 0.565 1.802 115.519 8.324 7017.657 4990.003 4.443 7.802 19.090 91.438 295 297 325 337 2.436886e+05 1.654730e+04 1.738843e+07 0.00000 1 None 9 9 25 286.083 332.481 0.247 2.322 116.234 8.302 7061.096 4976.836 3.629 9.255 15.595 108.464 285 287 330 339 3.217992e+05 1.646134e+04 2.591422e+07 0.00000 1 None 9 9 26 227.204 334.387 0.587 1.852 120.398 8.265 7314.088 4954.497 5.770 8.449 24.793 99.022 223 231 328 340 4.073477e+05 1.658122e+04 3.655701e+07 0.00000 1 None 4 35 27 238.756 335.103 0.292 0.313 119.581 8.251 7264.451 4946.106 4.897 6.342 21.043 74.327 236 242 331 339 6.160629e+05 1.643299e+04 2.952735e+07 0.00000 1 None 4 35 28 257.678 335.409 1.098 0.767 118.243 8.245 7183.147 4942.520 6.269 5.539 26.937 64.920 254 262 333 339 3.137512e+05 1.659709e+04 1.833613e+07 0.00000 1 None 4 35 29 267.178 336.073 0.370 0.510 117.571 8.232 7142.325 4934.742 4.930 6.970 21.185 81.692 264 270 331 341 4.479083e+05 1.659252e+04 3.083294e+07 0.00000 3 None 4 35 30 271.501 335.661 0.052 0.026 117.265 8.240 7123.750 4939.572 3.372 2.984 14.489 34.976 270 274 334 338 2.668860e+06 1.786519e+04 2.794511e+07 0.00000 1 None 4 35 31 295.972 336.297 0.047 0.040 115.534 8.228 7018.604 4932.109 3.386 3.027 14.548 35.474 294 298 334 338 1.498126e+06 1.708589e+04 1.701259e+07 0.00000 1 None 9 9 32 286.240 336.979 0.032 0.011 116.223 8.214 7060.421 4924.124 3.467 2.618 14.896 30.687 284 288 335 339 2.863779e+06 1.698777e+04 2.837690e+07 0.00000 1 None 9 9 33 302.901 337.464 0.759 1.271 115.044 8.205 6988.830 4918.433 5.061 5.610 21.746 65.754 303 303 337 341 2.114244e+05 1.667656e+04 1.135652e+06 0.00000 1 None 9 9 34 262.214 338.082 3.359 0.294 117.922 8.193 7163.655 4911.190 12.712 4.654 54.623 54.544 253 271 335 341 3.455558e+05 1.645261e+04 5.519120e+07 0.00000 1 None 4 35 35 198.984 339.863 0.094 0.065 122.395 8.158 7435.345 4890.320 3.593 3.239 15.436 37.960 197 202 338 342 8.085026e+05 1.670537e+04 1.118341e+07 0.00000 1 None 11 1 36 267.139 341.012 0.217 0.252 117.574 8.136 7142.494 4876.854 4.190 5.362 18.002 62.839 264 270 337 345 5.162866e+05 1.645176e+04 2.155654e+07 0.00000 1 None 4 35 37 305.683 340.582 0.969 1.021 114.848 8.144 6976.878 4881.891 5.609 6.008 24.101 70.417 302 310 339 343 2.814382e+05 1.658620e+04 9.999969e+06 0.00000 1 None 9 9 38 235.307 341.801 0.188 0.098 119.825 8.120 7279.272 4867.610 5.179 4.609 22.254 54.016 231 239 339 345 1.206302e+06 1.661213e+04 5.157698e+07 0.00000 1 None 4 35 39 286.158 341.741 0.399 0.935 116.229 8.121 7060.773 4868.311 3.837 6.127 16.487 71.810 286 287 338 343 2.437444e+05 1.651070e+04 7.018656e+06 0.00000 1 None 9 9 40 313.939 343.512 0.195 0.224 114.264 8.087 6941.403 4847.557 4.365 3.939 18.754 46.164 311 317 341 346 6.140035e+05 1.702498e+04 1.402279e+07 0.00000 1 None 9 9 41 254.626 345.076 0.111 0.031 118.459 8.056 7196.261 4829.223 4.146 3.065 17.817 35.926 252 258 343 347 1.489368e+06 1.708445e+04 2.528550e+07 0.00000 1 None 4 35 42 223.157 345.919 0.170 0.161 120.685 8.040 7331.479 4819.343 4.774 5.490 20.514 64.348 220 226 342 350 8.719787e+05 1.637681e+04 2.976801e+07 0.00000 1 None 4 35 43 236.004 345.985 0.152 0.033 119.776 8.038 7276.275 4818.577 6.190 3.243 26.598 38.012 232 240 344 348 1.452331e+06 1.645396e+04 3.827071e+07 0.00000 1 None 4 35 44 324.578 348.135 0.133 0.036 113.511 7.996 6895.688 4793.373 3.656 2.668 15.709 31.271 322 328 346 350 1.055781e+06 1.725702e+04 1.295939e+07 0.00000 1 None 12 2 45 331.333 347.965 1.471 0.079 113.033 8.000 6866.665 4795.361 7.301 2.347 31.371 27.512 326 334 347 348 3.189062e+05 1.651082e+04 4.729759e+06 0.00000 1 None 12 2 46 161.783 350.365 0.772 0.235 125.026 7.953 7595.190 4767.236 6.542 3.664 28.108 42.946 159 164 349 352 4.135100e+05 1.670224e+04 6.674702e+06 0.00000 1 None 13 1 47 292.667 351.166 0.048 0.019 115.768 7.937 7032.807 4757.853 3.450 2.785 14.823 32.643 291 295 349 353 2.254628e+06 1.723690e+04 2.341807e+07 0.00000 1 None 14 7 48 266.209 352.298 0.033 0.020 117.640 7.915 7146.489 4744.590 3.481 2.876 14.957 33.703 264 268 350 354 2.742442e+06 1.720860e+04 2.927251e+07 0.00000 1 None 4 35 49 338.592 353.827 0.545 0.474 112.520 7.885 6835.472 4726.668 2.963 4.020 12.731 47.118 338 341 354 354 2.218770e+05 1.866093e+04 3.238289e+06 0.00000 3 None 15 2 50 342.215 354.138 0.021 0.011 112.264 7.879 6819.904 4723.022 3.121 2.710 13.410 31.756 340 344 352 356 3.482270e+06 1.713035e+04 3.122181e+07 0.00000 1 None 15 2 51 299.647 355.667 0.475 0.629 115.275 7.849 7002.814 4705.106 5.161 6.805 22.177 79.757 297 304 351 361 5.097330e+05 1.647188e+04 2.922370e+07 0.00000 1 None 14 7 52 308.850 356.131 0.110 0.044 114.624 7.840 6963.267 4699.659 3.810 2.766 16.372 32.421 306 312 354 358 8.747952e+05 1.676385e+04 1.255627e+07 0.00000 1 None 14 7 53 315.569 356.011 1.176 0.105 114.148 7.842 6934.399 4701.074 5.192 2.321 22.309 27.206 312 316 356 356 2.373044e+05 1.665957e+04 1.154534e+06 0.00000 1 None 14 7 54 392.037 358.255 0.051 0.027 108.740 7.798 6605.827 4674.774 3.760 2.726 16.156 31.946 389 395 356 360 1.693624e+06 1.697014e+04 2.056390e+07 0.00000 1 None 16 1 55 264.527 361.239 0.686 0.143 117.759 7.740 7153.715 4639.792 6.838 4.281 29.381 50.167 260 270 358 364 7.609424e+05 1.666930e+04 4.062904e+07 0.00000 1 None 4 35 56 231.567 362.948 0.164 0.063 120.090 7.707 7295.342 4619.762 4.309 3.951 18.513 46.308 229 235 360 366 1.182570e+06 1.682563e+04 2.950459e+07 0.00000 1 None 4 35 57 257.778 363.035 0.077 0.019 118.236 7.705 7182.718 4618.748 5.171 3.258 22.219 38.184 254 262 361 365 2.526234e+06 1.648137e+04 5.463002e+07 0.00000 1 None 4 35 58 306.600 363.370 0.492 0.559 114.783 7.698 6972.936 4614.826 4.324 5.307 18.577 62.199 304 309 361 365 3.796752e+05 1.682044e+04 7.683045e+06 0.00000 1 None 14 7 59 298.873 364.906 0.027 0.024 115.329 7.668 7006.137 4596.819 3.405 3.710 14.630 43.484 297 301 362 368 2.779577e+06 1.665193e+04 5.226060e+07 0.00000 1 None 14 7 60 133.904 367.144 0.039 0.019 126.998 7.625 7714.983 4570.588 3.590 2.764 15.428 32.392 131 137 365 369 2.054122e+06 1.689813e+04 2.491048e+07 0.00000 1 None 17 1 61 281.226 367.058 1.718 0.533 116.577 7.626 7081.966 4571.601 7.471 5.242 32.101 61.435 276 285 366 371 2.364737e+05 1.638564e+04 1.306900e+07 0.00000 1 None 18 4 62 284.643 367.297 1.788 0.735 116.336 7.622 7067.281 4568.802 6.337 4.844 27.229 56.771 281 285 367 367 2.093758e+05 1.671354e+04 1.074138e+06 0.00000 1 None 18 4 63 298.545 367.201 0.058 0.026 115.352 7.624 7007.548 4569.917 3.707 3.558 15.930 41.700 296 302 364 370 2.994614e+06 1.745784e+04 5.836966e+07 0.00000 1 None 14 7 64 340.807 367.049 0.166 0.082 112.363 7.627 6825.955 4571.700 3.608 3.098 15.501 36.314 338 343 365 369 5.567722e+05 1.692841e+04 8.463775e+06 0.00000 1 None 19 6 65 240.082 367.752 0.049 0.034 119.488 7.613 7258.752 4563.461 3.769 3.184 16.196 37.315 237 243 366 370 1.790288e+06 1.681197e+04 2.792895e+07 0.00000 1 None 4 35 66 246.551 367.586 0.153 0.092 119.030 7.616 7230.957 4565.410 3.895 3.511 16.738 41.148 244 250 365 371 1.121998e+06 1.745377e+04 2.366153e+07 0.00000 1 None 4 35 67 334.079 367.658 0.052 0.056 112.839 7.615 6854.865 4564.567 3.232 3.168 13.887 37.127 332 336 366 370 1.268794e+06 1.711415e+04 1.413867e+07 0.00000 1 None 19 6 68 224.481 369.419 0.664 0.179 120.591 7.580 7325.789 4543.922 6.076 3.893 26.107 45.624 220 228 366 372 6.876700e+05 1.699095e+04 2.263921e+07 0.00000 1 None 4 35 69 282.079 372.099 0.521 0.148 116.517 7.528 7078.299 4512.518 6.270 3.750 26.939 43.950 278 286 369 375 4.486673e+05 1.634774e+04 1.789118e+07 0.00000 1 None 18 4 70 341.788 372.191 0.093 0.043 112.294 7.526 6821.741 4511.438 3.426 2.699 14.722 31.626 340 344 370 374 9.455337e+05 1.716861e+04 1.031404e+07 0.00000 1 None 19 6 71 326.528 372.933 0.176 0.092 113.373 7.511 6887.311 4502.746 3.676 3.975 15.797 46.590 324 329 370 376 8.543445e+05 1.706931e+04 1.682165e+07 0.00000 1 None 19 6 72 346.662 372.749 0.082 0.030 111.949 7.515 6800.799 4504.906 3.605 2.671 15.492 31.307 344 350 371 375 1.488802e+06 1.740492e+04 1.780004e+07 0.00000 1 None 19 6 73 353.744 372.710 0.685 0.205 111.448 7.516 6770.369 4505.361 4.755 2.897 20.431 33.950 351 355 372 373 2.672194e+05 1.701876e+04 2.326124e+06 0.00000 1 None 19 6 74 286.882 373.583 0.219 0.159 116.177 7.499 7057.662 4495.123 4.379 3.412 18.814 39.993 284 290 372 376 5.831089e+05 1.705609e+04 1.152735e+07 0.00000 1 None 18 4 75 331.702 373.815 1.105 0.275 113.007 7.494 6865.077 4492.409 5.185 3.217 22.281 37.699 332 332 374 374 2.087606e+05 1.703579e+04 2.060359e+05 0.00000 1 None 20 1 76 218.768 376.067 0.145 0.129 120.995 7.450 7350.338 4466.009 4.009 4.755 17.226 55.723 216 222 373 379 8.246895e+05 1.660096e+04 2.309939e+07 0.00000 1 None 4 35 77 241.387 375.678 1.228 0.987 119.395 7.458 7253.146 4470.578 5.518 5.891 23.709 69.041 240 242 372 377 2.408050e+05 1.662105e+04 4.460825e+06 0.00000 1 None 4 35 78 224.200 376.754 0.047 0.046 120.611 7.437 7326.996 4457.967 3.404 3.669 14.629 42.998 222 226 374 380 1.756445e+06 1.683225e+04 3.174095e+07 0.00000 1 None 4 35 79 263.152 379.930 0.360 0.161 117.856 7.375 7159.627 4420.742 4.187 3.310 17.989 38.797 262 264 379 381 3.203706e+05 1.666632e+04 2.255075e+06 0.00000 1 None 21 1 80 356.439 379.674 0.262 0.073 111.258 7.380 6758.786 4423.738 4.174 2.755 17.935 32.292 354 359 378 381 7.458065e+05 1.743772e+04 8.895777e+06 0.00000 1 None 22 1 81 375.702 379.557 0.104 0.040 109.895 7.382 6676.017 4425.114 4.062 2.640 17.454 30.941 373 379 378 381 1.502204e+06 1.782369e+04 1.773441e+07 0.00000 1 None 23 1 82 224.175 381.482 0.034 0.051 120.613 7.344 7327.102 4402.545 3.347 3.692 14.384 43.267 222 226 378 384 2.398246e+06 1.721838e+04 3.767684e+07 0.00000 1 None 4 35