Mercurial > repos > recetox > matchms_metadata_merge
comparison test-data/remove_key/out_matchms_remove_key.msp @ 17:e23c14cee5a9 draft
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit bd80a813fb2f01f22eed0c874f8911ce4d00762a
| author | recetox | 
|---|---|
| date | Mon, 30 Jun 2025 13:03:32 +0000 | 
| parents | 0c9f977e8d75 | 
| children | 
   comparison
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| 16:1fd950c5586a | 17:e23c14cee5a9 | 
|---|---|
| 1 NAME: C001 | 1 NAME: C001 | 
| 2 RETENTIONTIME: 38.74 | 2 RETENTIONTIME: 38.74 | 
| 3 RETENTIONINDEX: -1 | 3 RETENTIONINDEX: -1 | 
| 4 SPECTRUMTYPE: Centroid | 4 SPECTRUMTYPE: Centroid | 
| 5 NUM PEAKS: 57 | 5 NUM PEAKS: 57 | 
| 6 138.9121 10186226.0 | 6 138.9121 10186226.0 | 
| 7 148.9337 1008656.0 | 7 148.9337 1008656.0 | 
| 8 175.0641 26780143.0 | 8 175.0641 26780143.0 | 
| 9 186.1095 2675456.0 | 9 186.1095 2675456.0 | 
| 10 196.8658 21390430.0 | 10 196.8658 21390430.0 | 
| 11 198.8647 21688594.0 | 11 198.8647 21688594.0 | 
| 12 200.8848 7742528.0 | 12 200.8848 7742528.0 | 
| 13 206.9034 26130980.0 | 13 206.9034 26130980.0 | 
| 14 216.9205 32607700.0 | 14 216.9205 32607700.0 | 
| 15 234.0134 2550129.0 | 15 234.0134 2550129.0 | 
| 16 254.8252 23747536.0 | 16 254.8252 23747536.0 | 
| 17 256.8215 31377637.0 | 17 256.8215 31377637.0 | 
| 18 258.8237 15532799.0 | 18 258.8237 15532799.0 | 
| 19 266.8652 9805546.0 | 19 266.8652 9805546.0 | 
| 20 268.8537 3090354.0 | 20 268.8537 3090354.0 | 
| 21 306.9914 3169316.0 | 21 306.9914 3169316.0 | 
| 22 312.7841 10051801.0 | 22 312.7841 10051801.0 | 
| 23 316.7777 10734168.0 | 23 316.7777 10734168.0 | 
| 24 322.8157 6317648.0 | 24 322.8157 6317648.0 | 
| 25 324.9549 8619910.0 | 25 324.9549 8619910.0 | 
| 26 334.849 4178412.0 | 26 334.849 4178412.0 | 
| 27 342.8093 3285552.0 | 27 342.8093 3285552.0 | 
| 28 349.9455 2050695.0 | 28 349.9455 2050695.0 | 
| 29 350.9875 6150799.0 | 29 350.9875 6150799.0 | 
| 30 351.941 1965882.0 | 30 351.941 1965882.0 | 
| 31 366.8281 3253770.0 | 31 366.8281 3253770.0 | 
| 32 370.7418 9765463.0 | 32 370.7418 9765463.0 | 
| 33 372.7383 19374863.0 | 33 372.7383 19374863.0 | 
| 34 382.8218 12815572.0 | 34 382.8218 12815572.0 | 
| 35 384.8177 8311500.0 | 35 384.8177 8311500.0 | 
| 36 392.7685 10913351.0 | 36 392.7685 10913351.0 | 
| 37 413.2664 3965867.0 | 37 413.2664 3965867.0 | 
| 38 426.7772 5431633.0 | 38 426.7772 5431633.0 | 
| 39 428.7834 8554675.0 | 39 428.7834 8554675.0 | 
| 40 434.7287 9943329.0 | 40 434.7287 9943329.0 | 
| 41 436.8161 3705247.0 | 41 436.8161 3705247.0 | 
| 42 440.7322 10603010.0 | 42 440.7322 10603010.0 | 
| 43 442.7401 8271752.0 | 43 442.7401 8271752.0 | 
| 44 450.7016 8762673.0 | 44 450.7016 8762673.0 | 
| 45 460.7076 4528973.0 | 45 460.7076 4528973.0 | 
| 46 462.7862 2123666.0 | 46 462.7862 2123666.0 | 
| 47 484.7242 4273989.0 | 47 484.7242 4273989.0 | 
| 48 486.7743 4886062.0 | 48 486.7743 4886062.0 | 
| 49 488.6825 12267966.0 | 49 488.6825 12267966.0 | 
| 50 492.744 7662344.0 | 50 492.744 7662344.0 | 
| 51 494.8953 7188793.0 | 51 494.8953 7188793.0 | 
| 52 498.8794 6811405.0 | 52 498.8794 6811405.0 | 
| 53 500.8484 6520691.0 | 53 500.8484 6520691.0 | 
| 54 502.7832 3567833.0 | 54 502.7832 3567833.0 | 
| 55 510.763 4989757.0 | 55 510.763 4989757.0 | 
| 56 518.7415 4243468.0 | 56 518.7415 4243468.0 | 
| 57 546.6093 7177067.0 | 57 546.6093 7177067.0 | 
| 58 550.6949 6104789.0 | 58 550.6949 6104789.0 | 
| 59 566.5977 5171811.0 | 59 566.5977 5171811.0 | 
| 60 612.6927 2005587.0 | 60 612.6927 2005587.0 | 
| 61 676.6436 1982714.0 | 61 676.6436 1982714.0 | 
| 62 800.4451 2792137.0 | 62 800.4451 2792137.0 | 
| 63 | 63 | 
| 64 NAME: C002 | 64 NAME: C002 | 
| 65 RETENTIONTIME: 520.25 | 65 RETENTIONTIME: 520.25 | 
| 66 RETENTIONINDEX: 1234.5 | 66 RETENTIONINDEX: 1234.5 | 
| 67 SPECTRUMTYPE: Centroid | 67 SPECTRUMTYPE: Centroid | 
| 68 NUM PEAKS: 35 | 68 NUM PEAKS: 35 | 
| 69 131.1733 1971789.0 | 69 131.1733 1971789.0 | 
| 70 267.2688 6103973.0 | 70 267.2688 6103973.0 | 
| 71 279.0196 1946255.0 | 71 279.0196 1946255.0 | 
| 72 289.6491 46498377.0 | 72 289.6491 46498377.0 | 
| 73 301.1565 15185412.0 | 73 301.1565 15185412.0 | 
| 74 309.1649 18045974.0 | 74 309.1649 18045974.0 | 
| 75 310.1623 295359836.0 | 75 310.1623 295359836.0 | 
| 76 311.1658 13124727.0 | 76 311.1658 13124727.0 | 
| 77 312.0296 38757284.0 | 77 312.0296 38757284.0 | 
| 78 330.6757 12666597.0 | 78 330.6757 12666597.0 | 
| 79 525.375 1073323842.0 | 79 525.375 1073323842.0 | 
| 80 526.3783 181668883.0 | 80 526.3783 181668883.0 | 
| 81 527.3812 23642795.0 | 81 527.3812 23642795.0 | 
| 82 551.3321 111616808.0 | 82 551.3321 111616808.0 | 
| 83 552.3348 28340614.0 | 83 552.3348 28340614.0 | 
| 84 553.3314 2609936.0 | 84 553.3314 2609936.0 | 
| 85 562.3269 7538206.0 | 85 562.3269 7538206.0 | 
| 86 578.2905 7578406.0 | 86 578.2905 7578406.0 | 
| 87 619.3008 4742103.0 | 87 619.3008 4742103.0 | 
| 88 624.296 11790213.0 | 88 624.296 11790213.0 | 
| 89 813.5403 25060147.0 | 89 813.5403 25060147.0 | 
| 90 814.5336 5865975.0 | 90 814.5336 5865975.0 | 
| 91 955.1171 2322927.0 | 91 955.1171 2322927.0 | 
| 92 1047.7378 150394804.0 | 92 1047.7378 150394804.0 | 
| 93 1048.7399 90978863.0 | 93 1048.7399 90978863.0 | 
| 94 1049.7432 29946438.0 | 94 1049.7432 29946438.0 | 
| 95 1050.7453 6807767.0 | 95 1050.7453 6807767.0 | 
| 96 1069.7158 5074652.0 | 96 1069.7158 5074652.0 | 
| 97 1074.1979 3402288.0 | 97 1074.1979 3402288.0 | 
| 98 1075.1968 33352763.0 | 98 1075.1968 33352763.0 | 
| 99 1076.2004 10417953.0 | 99 1076.2004 10417953.0 | 
| 100 1101.6535 2023916.0 | 100 1101.6535 2023916.0 | 
| 101 1206.3127 3738816.0 | 101 1206.3127 3738816.0 | 
| 102 1216.8041 4439324.0 | 102 1216.8041 4439324.0 | 
| 103 1217.807 3565334.0 | 103 1217.807 3565334.0 | 
| 104 | 104 | 
| 105 NAME: C003 | 105 NAME: C003 | 
| 106 RETENTIONTIME: 483.67 | 106 RETENTIONTIME: 483.67 | 
| 107 SPECTRUMTYPE: Centroid | 107 SPECTRUMTYPE: Centroid | 
| 108 NUM PEAKS: 26 | 108 NUM PEAKS: 26 | 
| 109 265.2529 11366224.0 | 109 265.2529 11366224.0 | 
| 110 266.2564 1420444.0 | 110 266.2564 1420444.0 | 
| 111 279.6362 29849749.0 | 111 279.6362 29849749.0 | 
| 112 280.6546 8848921.0 | 112 280.6546 8848921.0 | 
| 113 288.6414 202172046.0 | 113 288.6414 202172046.0 | 
| 114 378.2093 15309961.0 | 114 378.2093 15309961.0 | 
| 115 379.1966 2902366.0 | 115 379.1966 2902366.0 | 
| 116 522.3565 4089569222.0 | 116 522.3565 4089569222.0 | 
| 117 523.354 1201714423.0 | 117 523.354 1201714423.0 | 
| 118 549.3267 63300808.0 | 118 549.3267 63300808.0 | 
| 119 576.2749 7386007.0 | 119 576.2749 7386007.0 | 
| 120 577.3074 2354251.0 | 120 577.3074 2354251.0 | 
| 121 617.2778 2323470.0 | 121 617.2778 2323470.0 | 
| 122 625.4543 4040374.0 | 122 625.4543 4040374.0 | 
| 123 796.9808 13576738.0 | 123 796.9808 13576738.0 | 
| 124 797.9841 6368973.0 | 124 797.9841 6368973.0 | 
| 125 809.9883 12596682.0 | 125 809.9883 12596682.0 | 
| 126 810.9916 6601055.0 | 126 810.9916 6601055.0 | 
| 127 1043.7028 144351468.0 | 127 1043.7028 144351468.0 | 
| 128 1044.7068 83271854.0 | 128 1044.7068 83271854.0 | 
| 129 1045.706 27998321.0 | 129 1045.706 27998321.0 | 
| 130 1046.7131 6505178.0 | 130 1046.7131 6505178.0 | 
| 131 1058.1594 20718345.0 | 131 1058.1594 20718345.0 | 
| 132 1059.1626 6608764.0 | 132 1059.1626 6608764.0 | 
| 133 1071.1639 15461047.0 | 133 1071.1639 15461047.0 | 
| 134 1072.1671 5096642.0 | 134 1072.1671 5096642.0 | 
| 135 | 135 | 
| 136 NAME: C004 | 136 NAME: C004 | 
| 137 RETENTIONTIME: 473.48 | 137 RETENTIONTIME: 473.48 | 
| 138 SPECTRUMTYPE: Centroid | 138 SPECTRUMTYPE: Centroid | 
| 139 NUM PEAKS: 24 | 139 NUM PEAKS: 24 | 
| 140 124.1405 6517662.0 | 140 124.1405 6517662.0 | 
| 141 170.2437 1237313.0 | 141 170.2437 1237313.0 | 
| 142 275.6336 28001849.0 | 142 275.6336 28001849.0 | 
| 143 296.147 190395687.0 | 143 296.147 190395687.0 | 
| 144 482.3247 145772322.0 | 144 482.3247 145772322.0 | 
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| 146 496.34 12577588056.0 | 146 496.34 12577588056.0 | 
| 147 497.3442 3337125302.0 | 147 497.3442 3337125302.0 | 
| 148 498.3462 532285213.0 | 148 498.3462 532285213.0 | 
| 149 499.3493 68176083.0 | 149 499.3493 68176083.0 | 
| 150 770.964 49250157.0 | 150 770.964 49250157.0 | 
| 151 771.9675 22666873.0 | 151 771.9675 22666873.0 | 
| 152 783.9721 9839299.0 | 152 783.9721 9839299.0 | 
| 153 784.9749 3622908.0 | 153 784.9749 3622908.0 | 
| 154 949.6233 8009033.0 | 154 949.6233 8009033.0 | 
| 155 950.6274 3674694.0 | 155 950.6274 3674694.0 | 
| 156 991.6726 1420557258.0 | 156 991.6726 1420557258.0 | 
| 157 992.6749 763118028.0 | 157 992.6749 763118028.0 | 
| 158 993.6787 239161906.0 | 158 993.6787 239161906.0 | 
| 159 994.6801 53549573.0 | 159 994.6801 53549573.0 | 
| 160 1017.6897 168186952.0 | 160 1017.6897 168186952.0 | 
| 161 1018.6656 120599518.0 | 161 1018.6656 120599518.0 | 
| 162 1019.6555 57647644.0 | 162 1019.6555 57647644.0 | 
| 163 1020.6591 12469103.0 | 163 1020.6591 12469103.0 | 
| 164 | 164 | 
| 165 NAME: C005 | 165 NAME: C005 | 
| 166 RETENTIONTIME: 41.72 | 166 RETENTIONTIME: 41.72 | 
| 167 SPECTRUMTYPE: Centroid | 167 SPECTRUMTYPE: Centroid | 
| 168 NUM PEAKS: 20 | 168 NUM PEAKS: 20 | 
| 169 218.1386 14009249.0 | 169 218.1386 14009249.0 | 
| 170 337.0623 88672453.0 | 170 337.0623 88672453.0 | 
| 171 338.0654 8770055.0 | 171 338.0654 8770055.0 | 
| 172 353.0361 37061354.0 | 172 353.0361 37061354.0 | 
| 173 359.0443 48435582.0 | 173 359.0443 48435582.0 | 
| 174 360.0459 5025128.0 | 174 360.0459 5025128.0 | 
| 175 375.018 29159485.0 | 175 375.018 29159485.0 | 
| 176 376.0216 2740193.0 | 176 376.0216 2740193.0 | 
| 177 381.0261 13522755.0 | 177 381.0261 13522755.0 | 
| 178 396.9999 10317665.0 | 178 396.9999 10317665.0 | 
| 179 417.0027 13822994.0 | 179 417.0027 13822994.0 | 
| 180 418.9966 4386311.0 | 180 418.9966 4386311.0 | 
| 181 432.9764 9779399.0 | 181 432.9764 9779399.0 | 
| 182 438.9851 11307111.0 | 182 438.9851 11307111.0 | 
| 183 440.9796 3364168.0 | 183 440.9796 3364168.0 | 
| 184 454.9592 9820452.0 | 184 454.9592 9820452.0 | 
| 185 456.9603 3774845.0 | 185 456.9603 3774845.0 | 
| 186 470.9263 3632486.0 | 186 470.9263 3632486.0 | 
| 187 512.8989 4072570.0 | 187 512.8989 4072570.0 | 
| 188 572.871 3485486.0 | 188 572.871 3485486.0 | 
| 189 | 189 | 
