view test-data/pepnovotag/sample_02.mgf @ 0:aef012f20f22 draft default tip

"planemo upload commit 75205d9b1b403cac3cf06b4d25148483181ed708"
author genouest
date Fri, 10 Dec 2021 10:26:25 +0000
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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