REMARK ROI 2D Peak Detection System, File: ./test.ft2 REMARK Detection Levels: -inf and 1.5986e+07 REMARK Detection: X(+/-1) Y(+/-1) REMARK Interpolation: X(+/-1) Y(+/-1) REMARK Noise: 3.46363e+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: 52, Good Peaks: 32, Questionable Peaks: 20 REMARK Clusters: 41, Max Cluster Size: 7 REMARK ROI Spectral Axis Limits: DATA X_AXIS 13C 1 691 58.557ppm 11.387ppm DATA Y_AXIS 1H 1 689 4.617ppm 0.581ppm 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 84.423 79.446 0.341 0.575 52.854 4.157 5317.979 1663.343 2.830 3.437 19.467 8.069 84 85 78 80 3.239440e+07 2.866764e+06 1.521368e+08 0.00000 1 None 1 1 2 84.384 84.042 0.255 0.193 52.857 4.130 5318.253 1652.553 2.856 2.959 19.648 6.945 83 86 83 85 3.836242e+07 2.727891e+06 2.609869e+08 0.00000 1 None 2 1 3 52.997 121.785 0.280 0.435 55.002 3.909 5534.141 1563.951 2.934 3.185 20.179 7.477 52 54 121 122 2.300039e+07 2.705871e+06 1.039829e+08 0.00002 1 None 3 1 4 662.889 132.112 0.279 0.444 13.309 3.848 1339.115 1539.709 2.480 3.007 17.059 7.060 663 663 132 132 1.789876e+07 2.771194e+06 1.777878e+07 0.00572 2 None 4 1 5 43.303 150.043 0.471 0.183 55.665 3.743 5600.816 1497.615 3.148 2.221 21.650 5.214 43 44 150 150 2.285688e+07 2.787010e+06 4.196340e+07 0.00040 2 None 5 1 6 293.206 274.005 0.045 0.094 38.581 3.016 3881.910 1206.613 2.474 3.749 17.019 8.802 292 295 272 277 1.208005e+08 2.686359e+06 1.865815e+09 0.00000 1 None 6 7 7 293.172 276.761 0.020 0.035 38.584 2.999 3882.146 1200.145 2.362 2.842 16.249 6.672 292 295 275 279 2.544003e+08 2.848348e+06 1.848064e+09 0.00000 1 None 6 7 8 370.308 277.925 0.494 0.497 33.311 2.993 3351.582 1197.411 2.817 3.163 19.377 7.426 370 370 278 278 1.701268e+07 2.708806e+06 1.659006e+07 0.00295 2 None 7 1 9 298.361 279.045 1.969 0.541 38.229 2.986 3846.454 1194.783 0.000 4.541 0.000 10.661 298 298 278 282 3.109339e+07 2.746915e+06 1.641949e+08 0.00000 1 None 6 7 10 293.343 279.729 0.076 0.058 38.572 2.982 3880.965 1193.178 2.841 2.527 19.544 5.931 292 295 278 281 1.319554e+08 2.927710e+06 1.064307e+09 0.00000 1 None 6 7 11 300.206 280.710 0.325 0.817 38.103 2.976 3833.762 1190.875 3.901 4.271 26.834 10.026 297 302 278 284 4.824774e+07 2.903684e+06 1.149248e+09 0.00000 1 None 6 7 12 296.027 282.292 0.652 0.334 38.388 2.967 3862.505 1187.161 6.370 3.735 43.813 8.768 294 301 279 285 4.787302e+07 2.764178e+06 1.792937e+09 0.00000 1 None 6 7 13 295.275 285.420 0.240 0.569 38.440 2.949 3867.677 1179.816 2.483 3.046 17.076 7.150 295 296 283 286 3.186634e+07 3.106531e+06 2.567060e+08 0.00000 1 None 6 7 14 22.864 288.229 0.481 0.474 57.062 2.932 5741.406 1173.223 3.226 2.897 22.186 6.800 23 23 288 288 1.787751e+07 2.705859e+06 1.759353e+07 0.00144 2 None 8 1 15 22.613 291.027 0.759 0.472 57.080 2.916 5743.127 1166.654 3.000 3.181 20.633 7.468 22 23 291 291 2.088649e+07 2.987092e+06 3.810207e+07 0.00029 2 None 9 1 16 22.264 294.687 0.416 0.485 57.103 2.894 5745.531 1158.064 2.752 2.763 18.933 6.486 22 23 295 295 1.910916e+07 2.806906e+06 3.496242e+07 0.00171 2 None 10 1 17 286.934 301.197 0.318 0.251 39.010 2.856 3925.051 1142.780 2.880 2.300 19.808 5.398 287 287 301 301 2.124995e+07 2.858346e+06 2.091570e+07 0.00193 2 None 11 1 18 286.934 306.750 0.161 0.798 39.010 2.823 3925.050 1129.745 2.481 4.703 17.068 11.039 286 288 305 308 2.900000e+07 2.690288e+06 2.242485e+08 0.00000 1 None 12 1 19 308.607 328.093 0.312 0.635 37.529 2.698 3775.978 1079.643 2.463 4.069 16.940 9.552 308 309 327 331 2.320978e+07 2.718705e+06 1.821606e+08 0.00001 1 None 13 2 20 308.862 331.940 0.257 0.392 37.511 2.676 3774.222 1070.612 2.642 3.254 18.173 7.639 308 309 330 332 2.194284e+07 2.679532e+06 1.035106e+08 0.00008 1 None 13 2 21 312.217 342.696 0.082 0.380 37.282 2.613 3751.146 1045.362 2.577 4.934 17.727 11.583 311 314 340 346 7.456218e+07 2.697520e+06 9.339372e+08 0.00000 1 None 14 1 22 370.844 364.877 0.224 0.601 33.274 2.482 3347.894 993.291 2.638 4.233 18.144 9.938 370 371 363 368 2.553077e+07 2.653035e+06 2.223320e+08 0.00000 1 None 15 2 23 293.107 371.940 0.327 0.421 38.588 2.441 3882.592 976.711 2.858 3.185 19.660 7.476 293 293 371 372 1.935887e+07 2.657794e+06 3.610585e+07 0.00040 2 None 16 1 24 299.544 374.213 4.145 0.248 38.148 2.428 3838.312 971.374 7.163 2.227 49.267 5.227 298 300 374 374 1.989391e+07 2.729995e+06 5.498189e+07 0.00028 2 None 17 1 25 191.676 375.241 0.473 0.471 45.522 2.422 4580.265 968.962 2.693 2.741 18.521 6.435 192 192 375 375 1.734777e+07 2.787439e+06 1.660615e+07 0.00601 2 None 18 1 26 371.534 375.614 0.005 0.006 33.227 2.419 3343.144 968.087 2.598 2.832 17.869 6.649 370 373 374 378 1.962197e+09 3.019678e+06 1.358136e+10 0.00000 1 None 15 2 27 375.038 376.084 0.136 4.040 32.987 2.417 3319.047 966.983 1.650 0.000 11.353 0.000 375 375 376 376 1.801208e+07 3.250378e+06 1.799691e+07 0.02464 2 None 19 1 28 317.109 379.461 0.013 0.037 36.947 2.397 3717.494 959.056 2.214 2.868 15.226 6.734 316 318 378 381 3.523283e+08 2.979124e+06 1.755317e+09 0.00000 1 None 20 1 29 345.879 402.946 0.268 0.852 34.981 2.259 3519.610 903.924 2.461 4.345 16.931 10.199 346 346 403 403 1.788349e+07 2.674771e+06 1.779127e+07 0.00129 2 None 21 1 30 346.773 406.662 0.513 2.294 34.919 2.237 3513.457 895.202 3.192 4.774 21.954 11.207 346 347 406 409 2.018653e+07 2.834833e+06 1.474132e+08 0.00006 1 None 22 2 31 287.075 406.860 0.185 0.257 39.000 2.236 3924.077 894.735 2.941 3.227 20.226 7.575 286 288 406 408 3.538133e+07 2.673896e+06 2.206924e+08 0.00000 1 None 23 1 32 340.927 407.689 0.353 0.484 35.319 2.231 3553.673 892.791 3.031 2.929 20.849 6.876 340 341 407 408 2.056478e+07 2.733958e+06 6.770094e+07 0.00024 2 None 24 1 33 349.660 411.411 0.051 0.090 34.722 2.209 3493.601 884.053 2.539 3.065 17.462 7.195 348 351 409 413 1.637408e+08 3.064881e+06 1.164057e+09 0.00000 1 None 22 2 34 346.033 411.972 0.184 0.754 34.970 2.206 3518.553 882.737 2.158 4.211 14.846 9.885 346 346 411 412 2.223649e+07 3.188466e+06 3.868319e+07 0.00158 2 None 25 1 35 319.805 412.616 0.294 0.308 36.763 2.202 3698.955 881.224 3.115 2.705 21.425 6.351 319 321 412 413 3.183265e+07 2.818508e+06 1.459957e+08 0.00000 1 None 26 1 36 341.304 412.801 0.192 0.192 35.293 2.201 3551.078 880.790 2.615 2.706 17.986 6.351 340 342 412 414 3.997807e+07 2.868643e+06 2.016134e+08 0.00000 1 None 27 1 37 286.954 413.773 0.189 0.289 39.009 2.196 3924.910 878.507 2.807 3.011 19.304 7.068 286 288 413 415 3.168091e+07 2.715040e+06 1.854168e+08 0.00000 1 None 28 1 38 319.736 416.884 0.350 0.405 36.768 2.177 3699.431 871.204 2.771 3.168 19.058 7.438 319 320 416 417 2.229307e+07 2.780577e+06 7.254250e+07 0.00009 1 None 29 1 39 346.049 449.555 0.270 0.597 34.969 1.986 3518.439 794.509 2.774 3.084 19.077 7.240 346 347 448 450 2.280227e+07 2.754578e+06 1.075568e+08 0.00005 1 None 30 1 40 341.116 452.463 0.253 1.403 35.306 1.969 3552.367 787.682 2.317 4.053 15.935 9.514 341 341 452 453 1.760202e+07 2.751028e+06 3.359172e+07 0.00331 2 None 31 1 41 341.173 458.350 0.215 0.448 35.302 1.934 3551.977 773.864 2.591 3.154 17.821 7.405 341 342 458 459 2.829222e+07 2.793876e+06 9.074942e+07 0.00000 1 None 32 1 42 335.902 461.312 0.180 0.330 35.663 1.917 3588.231 766.910 2.898 3.258 19.936 7.648 335 337 460 463 3.717091e+07 2.702733e+06 2.931931e+08 0.00000 1 None 33 3 43 340.876 463.021 0.262 0.306 35.323 1.907 3554.019 762.897 2.499 2.695 17.187 6.327 341 341 463 463 1.919110e+07 2.717346e+06 1.909468e+07 0.00315 2 None 34 1 44 477.632 462.530 0.025 0.039 25.974 1.909 2613.369 764.051 2.416 2.684 16.620 6.300 476 479 461 464 3.173356e+08 3.066741e+06 1.738691e+09 0.00000 1 None 35 1 45 335.657 464.073 0.332 0.585 35.679 1.900 3589.917 760.429 2.996 4.579 20.604 10.749 334 337 461 467 3.007915e+07 2.683991e+06 5.447907e+08 0.00000 1 None 33 3 46 336.122 467.814 0.354 1.090 35.648 1.878 3586.720 751.646 3.016 4.865 20.748 11.420 336 337 465 469 1.979230e+07 2.594215e+06 1.768660e+08 0.00003 1 None 33 3 47 319.854 499.084 0.259 0.426 36.760 1.695 3698.617 678.240 2.251 2.869 15.486 6.735 320 320 499 499 1.672246e+07 2.798656e+06 1.655386e+07 0.02033 2 None 36 1 48 319.807 502.730 0.189 0.390 36.763 1.674 3698.937 669.680 2.454 3.191 16.881 7.490 319 320 502 504 2.914266e+07 2.767795e+06 1.250738e+08 0.00000 1 None 37 1 49 624.219 573.097 0.633 0.325 15.953 1.261 1605.101 504.493 3.322 2.489 22.851 5.842 624 624 573 573 1.683260e+07 2.822111e+06 1.663637e+07 0.00855 2 None 38 1 50 624.410 576.965 0.771 0.246 15.940 1.238 1603.785 495.414 3.576 2.763 24.595 6.486 623 625 576 578 2.784552e+07 2.850039e+06 1.737716e+08 0.00000 1 None 39 1 51 598.534 676.176 1.151 0.410 17.709 0.656 1781.768 262.514 3.608 2.679 24.819 6.289 598 599 676 676 1.755555e+07 2.795008e+06 3.323329e+07 0.00214 2 None 40 1 52 598.817 679.852 0.428 0.362 17.689 0.635 1779.823 253.885 3.085 2.804 21.219 6.582 599 599 680 680 1.940562e+07 2.694806e+06 1.916454e+07 0.00065 2 None 41 1