Mercurial > repos > recetox > matchms_networking
comparison test-data/out_matchms_remove_key.msp @ 13:2200e9b7a2b3 draft
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
| author | recetox |
|---|---|
| date | Mon, 04 Dec 2023 19:13:54 +0000 |
| parents | |
| children |
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| 12:7c9599ecc2d3 | 13:2200e9b7a2b3 |
|---|---|
| 1 NAME:C001 | |
| 2 RETENTIONTIME:38.74 | |
| 3 RETENTIONINDEX: -1 | |
| 4 SPECTRUMTYPE:Centroid | |
| 5 Num Peaks:57 | |
| 6 216.9205 32607700 | |
| 7 256.8215 31377637 | |
| 8 175.0641 26780143 | |
| 9 206.9034 26130980 | |
| 10 254.8252 23747536 | |
| 11 198.8647 21688594 | |
| 12 196.8658 21390430 | |
| 13 372.7383 19374863 | |
| 14 258.8237 15532799 | |
| 15 382.8218 12815572 | |
| 16 488.6825 12267966 | |
| 17 392.7685 10913351 | |
| 18 316.7777 10734168 | |
| 19 440.7322 10603010 | |
| 20 138.9121 10186226 | |
| 21 312.7841 10051801 | |
| 22 434.7287 9943329 | |
| 23 266.8652 9805546 | |
| 24 370.7418 9765463 | |
| 25 450.7016 8762673 | |
| 26 324.9549 8619910 | |
| 27 428.7834 8554675 | |
| 28 384.8177 8311500 | |
| 29 442.7401 8271752 | |
| 30 200.8848 7742528 | |
| 31 492.744 7662344 | |
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| 33 546.6093 7177067 | |
| 34 498.8794 6811405 | |
| 35 500.8484 6520691 | |
| 36 322.8157 6317648 | |
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| 38 550.6949 6104789 | |
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| 47 413.2664 3965867 | |
| 48 436.8161 3705247 | |
| 49 502.7832 3567833 | |
| 50 342.8093 3285552 | |
| 51 366.8281 3253770 | |
| 52 306.9914 3169316 | |
| 53 268.8537 3090354 | |
| 54 800.4451 2792137 | |
| 55 186.1095 2675456 | |
| 56 234.0134 2550129 | |
| 57 462.7862 2123666 | |
| 58 349.9455 2050695 | |
| 59 612.6927 2005587 | |
| 60 676.6436 1982714 | |
| 61 351.941 1965882 | |
| 62 148.9337 1008656 | |
| 63 | |
| 64 NAME:C002 | |
| 65 RETENTIONTIME:520.25 | |
| 66 RETENTIONINDEX: 1234.5 | |
| 67 SPECTRUMTYPE:Centroid | |
| 68 Num Peaks:35 | |
| 69 525.375 1073323842 | |
| 70 310.1623 295359836 | |
| 71 526.3783 181668883 | |
| 72 1047.7378 150394804 | |
| 73 551.3321 111616808 | |
| 74 1048.7399 90978863 | |
| 75 289.6491 46498377 | |
| 76 312.0296 38757284 | |
| 77 1075.1968 33352763 | |
| 78 1049.7432 29946438 | |
| 79 552.3348 28340614 | |
| 80 813.5403 25060147 | |
| 81 527.3812 23642795 | |
| 82 309.1649 18045974 | |
| 83 301.1565 15185412 | |
| 84 311.1658 13124727 | |
| 85 330.6757 12666597 | |
| 86 624.296 11790213 | |
| 87 1076.2004 10417953 | |
| 88 578.2905 7578406 | |
| 89 562.3269 7538206 | |
| 90 1050.7453 6807767 | |
| 91 267.2688 6103973 | |
| 92 814.5336 5865975 | |
| 93 1069.7158 5074652 | |
| 94 619.3008 4742103 | |
| 95 1216.8041 4439324 | |
| 96 1206.3127 3738816 | |
| 97 1217.807 3565334 | |
| 98 1074.1979 3402288 | |
| 99 553.3314 2609936 | |
| 100 955.1171 2322927 | |
| 101 1101.6535 2023916 | |
| 102 131.1733 1971789 | |
| 103 279.0196 1946255 | |
| 104 | |
| 105 NAME:C003 | |
| 106 RETENTIONTIME:483.67 | |
| 107 SPECTRUMTYPE:Centroid | |
| 108 Num Peaks:26 | |
| 109 522.3565 4089569222 | |
| 110 523.354 1201714423 | |
| 111 288.6414 202172046 | |
| 112 1043.7028 144351468 | |
| 113 1044.7068 83271854 | |
| 114 549.3267 63300808 | |
| 115 279.6362 29849749 | |
| 116 1045.706 27998321 | |
| 117 1058.1594 20718345 | |
| 118 1071.1639 15461047 | |
| 119 378.2093 15309961 | |
| 120 796.9808 13576738 | |
| 121 809.9883 12596682 | |
| 122 265.2529 11366224 | |
| 123 280.6546 8848921 | |
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| 126 810.9916 6601055 | |
| 127 1046.7131 6505178 | |
| 128 797.9841 6368973 | |
| 129 1072.1671 5096642 | |
| 130 625.4543 4040374 | |
| 131 379.1966 2902366 | |
| 132 577.3074 2354251 | |
| 133 617.2778 2323470 | |
| 134 266.2564 1420444 | |
| 135 | |
| 136 NAME:C004 | |
| 137 RETENTIONTIME:473.48 | |
| 138 SPECTRUMTYPE:Centroid | |
| 139 Num Peaks:24 | |
| 140 496.34 12577588056 | |
| 141 497.3442 3337125302 | |
| 142 991.6726 1420557258 | |
| 143 992.6749 763118028 | |
| 144 498.3462 532285213 | |
| 145 993.6787 239161906 | |
| 146 296.147 190395687 | |
| 147 1017.6897 168186952 | |
| 148 482.3247 145772322 | |
| 149 1018.6656 120599518 | |
| 150 499.3493 68176083 | |
| 151 1019.6555 57647644 | |
| 152 994.6801 53549573 | |
| 153 770.964 49250157 | |
| 154 483.3283 36245876 | |
| 155 275.6336 28001849 | |
| 156 771.9675 22666873 | |
| 157 1020.6591 12469103 | |
| 158 783.9721 9839299 | |
| 159 949.6233 8009033 | |
| 160 124.1405 6517662 | |
| 161 950.6274 3674694 | |
| 162 784.9749 3622908 | |
| 163 170.2437 1237313 | |
| 164 | |
| 165 NAME:C005 | |
| 166 RETENTIONTIME:41.72 | |
| 167 SPECTRUMTYPE:Centroid | |
| 168 Num Peaks:20 | |
| 169 337.0623 88672453 | |
| 170 359.0443 48435582 | |
| 171 353.0361 37061354 | |
| 172 375.018 29159485 | |
| 173 218.1386 14009249 | |
| 174 417.0027 13822994 | |
| 175 381.0261 13522755 | |
| 176 438.9851 11307111 | |
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| 178 454.9592 9820452 | |
| 179 432.9764 9779399 | |
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| 187 440.9796 3364168 | |
| 188 376.0216 2740193 |