Mercurial > repos > genouest > peptimapper_clustqualify
view test-data/pepnovotag/sample_02.mgf @ 1:d913a2af45dc draft default tip
"planemo upload commit bbcbc29ef60120ea945879874ca92fb098dda8bf"
author | genouest |
---|---|
date | Mon, 13 Dec 2021 14:13:08 +0000 |
parents | 1a673951d076 |
children |
line wrap: on
line source
MASS=Monoisotopic BEGIN IONS TITLE=Spectrum1 scans: 1043, PEPMASS=844.02002 3214.88208 CHARGE=2+ RTINSECONDS=1563 SCANS=1043 322.357 10.2869 354.362 6.58566 367.307 1.96699 389.259 3.30579 407.313 6.10284 415.290 7.17517 415.999 3.71274 453.906 10.1175 459.125 11.1059 477.375 11.7422 480.383 13.911 486.018 11.3777 498.254 2.40184 511.138 12.6097 516.039 7.39423 595.615 4.38655 599.458 5.87532 642.728 8.87593 652.204 6.98061 662.661 12.8475 679.400 12.4541 698.403 2.40173 699.079 6.18764 700.605 7.64901 714.872 12.1998 772.612 13.7395 781.508 3.71454 800.318 23.3845 807.533 14.1371 809.391 9.99447 816.141 57.1752 821.947 193.521 825.397 35.3343 826.492 10.0861 829.283 276.558 1051.320 6.20635 END IONS BEGIN IONS TITLE=Spectrum2 scans: 1065, PEPMASS=401.72430 8656.84863 CHARGE=2+ RTINSECONDS=1589 SCANS=1065 116.173 6.13866 129.181 19.3052 129.970 15.8797 135.913 12.131 147.162 11.3306 175.232 18.0274 184.168 7.631 201.831 8.91994 202.438 7.45207 212.974 2.17215 215.446 2.83025 218.134 12.7886 226.381 3.68896 228.157 7.82852 242.321 16.0806 245.322 11.7055 251.077 5.22252 252.191 25.232 255.655 9.97459 257.169 20.8913 260.210 6.94113 268.232 9.7006 269.106 22.784 291.369 16.0711 302.215 8.91409 306.897 2.6142 308.998 11.133 313.449 3.04453 321.257 12.0054 323.191 9.19607 327.027 15.7039 331.919 3.69412 337.372 93.0468 339.187 6.34904 341.403 5.22159 356.083 2.17335 366.719 14.9823 367.354 13.0979 368.256 1.74647 371.333 12.6195 380.266 18.6244 382.894 34.1564 384.120 64.488 384.887 128.186 385.895 6.8857 389.227 12.8707 392.660 185.183 393.378 131.546 419.607 3.29187 499.446 4.13315 517.503 11.9596 543.196 73.4792 544.328 3.47701 552.103 8.94462 575.623 4.34711 610.518 26.0166 624.356 2.61932 628.238 10.7106 638.361 21.0937 639.087 11.4304 639.935 12.1735 656.549 67.2246 657.392 4.20978 658.493 4.57174 674.424 10.2032 675.448 13.7899 END IONS BEGIN IONS TITLE=Spectrum3 scans: 1121, PEPMASS=788.38495 13561.53809 CHARGE=2+ RTINSECONDS=1656 SCANS=1121 250.073 4.49671 330.086 4.65533 433.980 33.0411 454.559 4.80753 533.293 3.08961 619.600 9.71194 639.587 61.965 711.667 5.49571 742.531 286.862 748.441 554.697 753.968 3.29623 761.242 8.93978 766.019 1373.24 766.625 230.356 768.740 1438.63 769.911 64.1914 770.945 231.573 772.271 2756.18 773.578 4310.39 774.702 12654.4 775.805 2750.8 839.882 14.7997 841.537 117.186 END IONS BEGIN IONS TITLE=Spectrum4 scans: 1149, PEPMASS=644.87311 0.00000 CHARGE=2+ RTINSECONDS=1686 SCANS=1149 244.233 4.8187 271.077 3.73463 322.158 29.5056 329.470 6.34669 330.639 17.3537 377.140 4.8229 398.952 12.4551 417.657 7.33676 440.357 3.55145 604.812 5.3713 609.603 9.86976 616.219 660.484 617.979 521.156 623.937 18.9678 626.662 89.6551 629.361 1128.17 631.017 2194.84 631.842 3511.75 632.706 765.534 789.818 4.03958 END IONS BEGIN IONS TITLE=Spectrum5 scans: 1182, PEPMASS=638.56726 0.00000 CHARGE=2+ RTINSECONDS=1721 SCANS=1182 235.306 19.4528 443.164 8.78238 467.193 10.1474 524.852 1.59002 549.175 3.11701 563.477 9.19177 588.416 56.4081 594.278 8.38299 611.311 4.55721 625.686 3973.35 626.327 5661.86 626.997 763.024 655.345 16.4508 771.473 3.77711 876.145 11.4008 1141.876 8.77081 END IONS BEGIN IONS TITLE=Spectrum6 scans: 1186, PEPMASS=623.89252 0.00000 CHARGE=2+ RTINSECONDS=1724 SCANS=1186 189.010 4.4744 221.100 28.7369 252.110 7.30732 270.071 6.26698 295.123 33.7819 323.131 6.13856 336.874 11.6227 355.198 2.49296 367.795 10.7278 384.230 5.61808 392.059 12.3192 407.098 11.6483 455.928 12.5022 509.842 9.66755 527.846 28.911 530.772 9.44329 537.097 5.53682 579.463 13.848 587.811 14.8196 590.557 13.7881 605.615 73.2494 606.807 2036.41 607.525 34.0978 608.169 8.75486 609.332 5.42294 610.859 3286.34 612.123 7219.58 END IONS BEGIN IONS TITLE=Spectrum7 scans: 1221, PEPMASS=429.20859 38195.26172 CHARGE=2+ RTINSECONDS=1762 SCANS=1221 124.888 11.1838 136.001 3.65982 146.911 52.6258 147.867 4.02588 149.045 8.15702 150.021 10.9903 154.121 10.1478 169.142 15.8363 175.103 45.2614 176.197 13.3559 183.223 4.75489 187.400 5.54288 195.218 9.26037 196.991 2.03881 198.023 2.04068 199.112 404.935 200.128 34.787 207.089 40.2987 208.961 6.68715 212.077 9.97691 215.473 3.77638 227.103 495.048 228.218 24.7767 243.001 10.2368 247.904 12.4952 252.008 12.8816 269.345 9.34456 270.097 14.278 271.184 7.75485 272.219 19.1538 275.199 14.0094 285.181 3.66725 289.235 153.401 290.097 17.9543 293.159 5.76484 293.791 5.32526 295.991 4.2632 300.230 14.7362 301.293 6.40942 308.775 12.1155 310.017 13.1948 314.035 79.1177 315.098 65.7442 316.077 30.7409 318.768 34.9135 320.247 2.25688 322.095 7.97214 323.122 32.4238 325.197 50.3875 326.012 12.3768 332.044 12.4777 334.151 36.5431 337.739 9.02076 339.912 30.9989 341.019 6320.55 342.100 1911.64 343.247 84.3235 344.458 18.5485 346.397 8.02706 354.931 14.4543 358.048 181.283 358.715 999.118 359.799 243.154 371.378 22.4567 382.310 5.60255 386.150 23.8137 393.567 5.9503 395.396 21.2686 398.320 31.9574 399.265 9.32436 400.484 47.4995 401.423 19.1875 402.892 9.56929 409.237 8.34054 410.946 66.77 411.805 66.3116 413.256 76.9789 414.329 51.2575 415.218 12.8104 417.212 378.582 418.258 55.382 419.183 69.6418 420.566 591.023 421.300 72.7337 440.056 4.75481 441.230 32.9184 449.938 6.01252 454.103 13.0295 454.967 12.4952 474.438 5.56159 500.476 5.84754 506.303 2.77812 516.399 332.439 517.200 43.7072 518.503 14.681 542.387 9.69967 551.093 11.4797 552.329 6.71426 556.513 33.6479 569.239 53.3136 569.991 16.7235 571.113 26.5839 593.231 3.99574 596.473 12.8043 597.100 2.26945 599.457 12.256 614.474 78.2564 615.448 17.4427 624.668 11.8416 631.305 1969.08 632.363 630.849 633.300 128.773 641.480 2.77793 648.274 8.65803 662.520 14.7656 665.356 13.0554 683.079 12.1213 684.842 6.44858 702.523 5.14647 716.578 4.43324 730.371 32.0929 734.370 12.9534 742.175 6.62477 743.275 3.13191 744.499 18.0596 760.380 460.307 761.270 75.6976 762.309 32.0901 770.413 39.9008 771.304 29.6998 772.202 15.5825 END IONS BEGIN IONS TITLE=Spectrum8 scans: 1258, PEPMASS=409.22360 33951.50391 CHARGE=2+ RTINSECONDS=1803 SCANS=1258 129.192 2.84771 130.106 8.63185 143.061 175.96 144.292 5.02361 145.094 4.18425 147.006 17.5995 155.122 2.19206 158.163 11.1054 166.010 2.84851 169.073 40.6119 170.103 10.5075 175.077 79.7804 176.426 21.48 187.405 5.24869 200.094 13.2256 200.815 1.76301 204.274 7.1926 206.320 3.71763 207.123 8.71443 214.113 147.709 226.149 2.41419 228.185 7.40168 230.336 16.9847 233.079 10.4331 235.923 17.2126 240.164 32.3434 244.139 9.83006 245.049 9.1706 246.209 52.8834 247.150 9.60072 247.832 15.8832 249.479 10.6636 251.267 5.45884 251.999 10.368 254.142 3.95794 255.039 6.10213 257.039 25.2883 258.291 4.58661 261.259 12.8018 262.218 16.3069 265.956 11.7479 276.019 20.374 277.073 5.89043 279.165 10.0293 285.054 167.151 288.400 13.9551 292.005 7.93394 293.290 37.3688 294.112 94.5579 294.950 145.418 297.176 4.87111 301.756 5.30733 306.832 1.78102 308.258 9.69138 310.576 7.85187 314.275 20.0916 315.265 2.41621 321.071 7.41022 322.923 2.20061 329.519 159.663 331.116 7.62807 332.427 4.63151 338.319 99.6887 340.837 4.86968 342.437 27.637 345.218 3.0716 346.134 8.93258 348.272 9.44697 351.741 3.5011 356.932 12.6859 358.241 9.37356 360.299 22.8794 362.943 25.1225 364.785 10.8895 367.077 12.995 368.125 106.754 374.168 100.588 375.049 12.597 376.931 18.533 379.217 2.40514 382.235 6.32481 386.098 52.7262 387.344 38.6132 388.366 42.8776 390.177 33.6813 391.064 52.0392 392.203 69.7901 393.052 40.8339 394.633 43.0331 396.193 24.0082 399.400 261.153 400.449 1007.66 401.356 57.6928 402.414 30.4973 403.140 24.9627 408.853 12.1711 425.260 21.0816 426.230 4.58582 430.394 9.69129 432.327 204.306 433.454 29.3637 434.267 15.7913 437.170 6.3839 440.198 5.6691 442.231 6.11996 442.892 2.84809 457.155 11.3519 461.249 2.63254 492.577 15.1074 514.405 39.4192 515.543 5.66992 517.372 22.1649 529.491 6.76058 533.280 241.086 534.441 88.3788 535.329 9.60368 540.730 39.9834 541.469 56.1126 543.422 9.84001 544.304 13.9624 553.309 2.84182 554.189 56.0451 555.013 7.25823 571.981 4.62154 572.754 5.47746 573.471 31.0965 584.150 16.2699 586.038 1.97584 587.349 10.5375 602.487 13.709 604.314 325.078 605.360 84.1849 618.434 16.7441 620.329 13.9153 627.443 18.9449 633.716 9.14132 641.752 7.0004 642.400 12.7232 653.440 36.2312 657.287 105.156 658.589 13.5064 669.398 6.7705 671.371 45.9959 672.404 4.59482 675.302 1098.02 676.403 310.048 677.321 6.12162 690.543 7.40299 712.273 12.2042 727.619 6.99953 746.435 9.36859 END IONS BEGIN IONS TITLE=Spectrum9 scans: 1259, PEPMASS=401.72403 32889.25781 CHARGE=2+ RTINSECONDS=1803 SCANS=1259 123.031 9.81627 126.915 5.53077 129.175 170.123 130.021 95.6552 145.960 6.32 147.105 186.502 157.180 6.59138 157.971 13.0812 168.073 13.2141 171.927 19.6649 175.190 29.0338 183.292 3.51318 197.294 2.62744 201.107 2.19248 201.988 4.36651 210.323 4.80143 216.394 14.4476 223.290 10.4655 231.294 6.9835 235.230 17.0984 238.145 3.93092 242.271 12.0352 244.253 8.95812 249.625 11.3291 251.039 3.29511 252.030 4.79906 254.046 10.8884 258.647 7.84021 260.248 26.5619 261.381 2.41748 263.262 38.6646 266.404 6.75649 268.188 25.0573 269.069 38.3525 270.058 6.96151 272.547 8.71173 281.120 3.2752 282.155 1.97736 284.011 4.21919 284.922 5.06705 286.178 75.4163 287.323 12.8466 288.185 5.47971 289.432 5.26423 304.361 15.0711 305.518 24.3897 306.234 34.1875 307.923 7.49693 316.000 8.10708 325.091 7.11575 327.705 12.1897 333.862 8.11776 337.314 744.356 338.340 119.348 341.547 10.7086 346.477 23.913 348.528 11.1593 350.997 40.7297 352.770 26.0236 353.422 14.6998 354.866 13.9101 358.139 33.1937 359.302 20.6321 365.682 5.73227 369.195 48.8104 370.132 94.8534 371.319 42.1708 372.231 15.4307 376.637 6.76562 378.677 18.0502 379.500 18.9995 380.381 68.2934 381.013 5.27477 381.905 32.7323 382.986 24.4086 383.856 64.109 384.609 76.1835 385.489 7.20484 386.848 13.5561 388.237 63.9378 389.605 14.6894 391.873 18.6733 392.917 3566.51 393.817 352.673 395.083 9.61144 414.152 41.5013 415.191 115.27 416.444 4.20272 418.372 10.2379 443.655 5.45333 446.517 11.6419 451.696 12.0501 457.326 13.0693 474.111 4.83603 480.714 16.5154 482.332 4.8101 493.525 24.7605 497.413 4.15122 499.483 67.9306 501.514 8.9989 508.387 13.3228 515.273 8.57277 516.306 8.33511 517.320 39.5271 518.440 8.29442 525.451 70.5436 526.396 22.8904 527.291 39.8424 541.618 12.6483 543.265 216.078 544.319 65.6882 545.368 51.073 549.349 10.7576 553.337 6.14302 561.340 40.1621 576.330 8.94341 584.934 12.079 593.121 3.05987 594.360 4.58854 598.506 8.98872 602.295 23.6285 603.558 15.2468 604.391 18.5051 610.519 106.778 611.693 15.6744 612.546 11.3104 615.419 19.3891 620.072 8.10459 621.369 20.0531 622.278 5.01852 628.348 50.4697 629.544 121.179 630.342 18.5354 638.317 249.739 639.361 73.4206 640.624 3.70585 643.456 10.7128 647.455 20.0212 656.289 642.862 657.318 139.743 658.373 41.7732 672.565 6.66558 673.677 17.8405 674.546 74.1453 675.398 31.5155 676.795 4.13991 690.348 6.14326 701.393 15.4312 751.138 2.44237 END IONS BEGIN IONS TITLE=Spectrum10 scans: 1261, PEPMASS=588.79932 37397.73438 CHARGE=2+ RTINSECONDS=1804 SCANS=1261 187.103 4.40896 194.328 5.23005 209.344 11.7244 210.635 4.57785 219.342 5.48319 222.114 8.69829 226.233 52.0164 227.204 9.55966 228.276 17.6471 240.145 3.96134 243.126 11.9397 244.287 132.255 245.047 12.2086 245.882 10.0477 295.958 28.2861 305.240 24.5463 311.979 3.75227 313.303 6.75808 314.172 17.6189 340.367 23.2223 341.096 47.8055 358.267 79.5475 359.328 22.578 360.265 21.7508 372.722 6.96636 377.555 20.1481 386.322 51.5513 388.527 9.62126 397.112 2.40577 400.096 14.4462 401.587 6.11712 409.325 12.8381 411.117 3.48653 412.748 11.7596 418.265 15.3166 424.335 6.09428 426.842 24.3853 431.276 5.92255 435.131 3.49265 436.403 5.72407 442.336 8.06612 443.137 11.0893 451.196 26.7223 452.013 18.1289 453.460 15.0338 455.890 13.698 458.490 5.29836 459.531 16.5211 460.653 6.63093 467.362 2.62314 469.280 40.1039 473.703 23.1376 475.053 87.1416 484.849 18.0904 487.306 79.3765 488.370 27.7432 491.884 7.61536 494.545 9.11826 497.940 2.18866 499.715 6.33255 505.829 25.327 514.340 31.058 515.821 25.5254 518.315 15.309 525.071 11.5308 527.875 29.4215 528.499 21.4409 530.443 12.8792 531.818 5.76908 533.614 32.473 534.802 31.2704 539.784 22.7242 544.943 14.5346 548.181 14.1513 549.065 71.0157 550.701 11.0993 553.321 10.2386 556.995 3363.91 557.946 367.76 560.383 10.8711 561.255 63.481 561.859 12.6088 565.791 4.3454 566.503 19.6683 568.400 3.27412 570.551 64.5889 571.334 86.4963 571.934 9.77848 572.546 27.8642 579.492 82.1614 580.529 77.5678 581.254 17.6603 582.021 6.12483 588.562 8.88216 598.485 5.13086 613.240 6.48347 626.374 77.3361 627.266 20.8047 632.460 6.08925 651.677 25.4398 664.011 23.0761 672.526 11.9926 690.353 101.204 691.276 63.0169 692.257 9.15178 719.559 21.9426 727.702 3.93517 729.793 13.4769 755.464 33.351 756.468 17.1533 772.541 14.3519 773.475 8.60174 791.274 5.90147 792.103 4.37113 816.706 13.9154 819.400 203.087 820.366 23.7383 836.372 13.9172 837.474 7.83427 853.485 7.33175 862.670 12.944 866.254 3.70978 867.339 7.40478 869.494 150.621 870.430 44.6474 871.451 2.84019 888.305 11.5237 905.328 6.60611 916.099 20.9093 917.359 23.137 929.544 2.39909 933.357 344.327 934.347 120.589 935.418 52.2706 936.442 27.8102 983.469 5.0072 984.786 4.57562 985.514 11.1034 1050.452 8.04101 END IONS BEGIN IONS TITLE=Spectrum11 scans: 1277, PEPMASS=546.75409 49385.21875 CHARGE=2+ RTINSECONDS=1822 SCANS=1277 155.930 7.15107 158.014 9.6832 162.183 6.46213 168.066 5.00418 171.112 8.23625 175.067 14.6207 181.247 2.67804 184.009 4.76218 184.845 10.9948 194.363 8.23468 195.213 5.61174 196.019 10.799 199.067 8.44025 206.273 4.11235 209.117 23.7806 210.086 12.5742 212.805 2.58525 214.225 9.08349 215.094 22.0879 223.341 14.9358 226.905 2.6182 231.099 15.088 232.186 66.8221 242.102 8.06483 244.378 4.53253 245.961 8.43875 252.655 25.0844 254.153 28.8913 259.174 22.8842 260.137 20.0842 263.286 10.1979 267.914 2.5882 270.050 6.48973 272.145 21.6441 273.156 3.32351 275.165 3.24169 282.129 7.13167 283.386 4.53775 285.879 17.0462 288.524 16.0233 289.234 246.836 290.341 25.2872 295.335 16.9703 297.130 12.6036 298.215 70.0556 299.111 10.5702 300.969 5.17627 302.120 2.15032 307.189 5.41117 310.410 18.6746 311.050 4.97218 316.100 30.6472 317.735 15.5146 323.038 12.1332 328.103 28.0531 330.133 5.39869 331.033 6.06272 337.287 6.27271 339.091 16.634 342.764 6.06444 344.120 6.0632 345.893 16.4672 347.111 4.32227 349.161 3.69541 350.197 24.1772 351.205 9.97286 353.245 17.4686 355.287 17.0785 357.190 16.865 363.289 11.4835 368.155 26.7856 369.300 19.2149 370.384 6.2734 373.194 15.546 380.262 7.00973 380.963 48.9251 385.202 161.52 386.407 54.4127 387.305 6.0513 389.848 9.45775 395.425 5.46217 402.454 111.261 403.290 45.0549 404.286 35.3376 405.494 17.1089 410.086 3.24206 410.706 23.8752 411.996 16.9169 412.973 4.53895 414.104 16.7776 416.346 22.3067 417.284 13.5793 417.969 8.62417 420.807 21.1981 422.372 6.26159 424.346 4.39944 428.234 51.8127 430.488 11.0253 431.440 4.1067 433.408 3.45703 434.053 8.87047 437.048 67.0327 437.703 30.7464 438.313 12.5443 442.168 10.1214 446.252 47.0425 447.006 7.22228 447.648 12.7859 448.956 8.89085 450.187 13.1429 451.755 19.2191 454.316 77.1916 455.278 5.41024 456.709 33.7104 457.427 16.7101 458.461 7.99893 460.187 3.45366 464.064 16.042 465.951 79.7723 467.760 8.6591 470.630 5.18456 472.226 88.9259 473.595 28.675 474.872 314.836 475.767 55.8676 476.378 18.746 481.326 19.4202 482.462 20.8941 483.454 9.52353 484.990 10.91 486.469 15.3904 488.807 23.8807 489.502 53.2029 490.247 150.132 491.223 13.8571 493.238 52.5852 494.241 21.124 500.317 10.1827 503.970 3.67023 505.129 9.92079 506.791 22.7396 508.261 22.2668 509.591 59.3488 510.760 62.5294 511.388 24.7134 512.305 17.5601 513.636 117.613 514.368 11.1726 515.487 56.3319 516.488 26.4822 517.192 29.6036 518.743 26.12 519.923 38.9904 520.768 45.1267 522.591 19.3023 523.641 18.9964 524.967 31.4757 527.254 99.8804 528.087 95.1277 528.997 798.691 529.928 93.6739 530.955 25.5533 534.044 49.1863 536.615 129.69 537.735 834.982 538.366 461.337 539.140 113.462 551.292 14.5282 568.234 18.489 569.237 17.0874 586.268 48.7028 587.585 13.0283 603.275 402.946 604.295 68.1112 605.372 30.6415 617.370 24.5156 637.150 9.97056 638.185 13.3506 648.381 4.52757 655.538 41.1369 657.308 3.67149 670.204 13.6691 673.328 64.2207 686.475 42.6608 690.414 385.776 691.466 138.193 692.432 15.1347 695.422 2.80809 700.412 38.9987 702.169 3.05734 704.610 7.82447 718.629 1.93059 721.467 42.4827 722.303 5.83462 725.458 5.61938 741.236 11.2172 743.487 4.32516 747.216 3.01474 750.229 23.5331 752.329 55.9002 760.375 9.51093 765.195 12.36 766.541 5.18397 768.245 46.6236 769.287 49.0228 770.508 15.4982 772.554 9.10015 777.483 179.353 778.389 40.7289 779.503 45.1996 782.506 6.54276 786.290 113.815 787.339 10.2704 789.881 6.05944 791.495 6.71649 804.455 27.7229 805.383 3.66206 806.393 6.78656 807.686 3.2384 817.358 2.8063 819.598 24.2666 825.505 37.7123 834.284 75.2664 835.338 58.3712 836.631 15.5562 838.679 5.91691 842.076 18.4883 843.368 41.4028 844.105 9.55712 845.628 11.4723 863.351 7.6177 874.490 15.3869 881.376 171.258 882.514 69.4443 883.267 17.4781 884.589 4.98755 891.556 13.2063 892.533 7.14484 895.212 17.3393 899.986 16.4776 904.725 3.67202 912.579 2.80659 918.449 32.0002 934.678 41.7453 935.892 28.8983 937.365 19.435 943.676 10.0514 947.053 18.6367 948.420 46.6784 982.391 18.6361 1031.644 20.2581 1053.537 11.9181 END IONS