Mercurial > repos > recetox > matchms_remove_key
comparison test-data/split/one-per-file/1.msp @ 12:10908b5bb7c8 draft
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit bd80a813fb2f01f22eed0c874f8911ce4d00762a
| author | recetox |
|---|---|
| date | Mon, 30 Jun 2025 12:57:48 +0000 |
| parents | 358a151ab81e |
| children |
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| 11:fbdb2ae524df | 12:10908b5bb7c8 |
|---|---|
| 20 IONIZATION_MODE: positive | 20 IONIZATION_MODE: positive |
| 21 LAST_AUTO-CURATION: 1495210335764 | 21 LAST_AUTO-CURATION: 1495210335764 |
| 22 MOLECULAR_FORMULA: C6H4N2O5 | 22 MOLECULAR_FORMULA: C6H4N2O5 |
| 23 TOTAL_EXACT_MASS: 184.01202122799998 | 23 TOTAL_EXACT_MASS: 184.01202122799998 |
| 24 NUM PEAKS: 64 | 24 NUM PEAKS: 64 |
| 25 51.0 27.22 | 25 51.0 27.22 |
| 26 52.0 19.9 | 26 52.0 19.9 |
| 27 53.0 61.8 | 27 53.0 61.8 |
| 28 54.0 6.76 | 28 54.0 6.76 |
| 29 55.0 13.95 | 29 55.0 13.95 |
| 30 56.0 3.86 | 30 56.0 3.86 |
| 31 57.0 11.52 | 31 57.0 11.52 |
| 32 60.0 6.43 | 32 60.0 6.43 |
| 33 61.0 13.38 | 33 61.0 13.38 |
| 34 62.0 36.19 | 34 62.0 36.19 |
| 35 63.0 61.37 | 35 63.0 61.37 |
| 36 64.0 26.2 | 36 64.0 26.2 |
| 37 65.0 6.74 | 37 65.0 6.74 |
| 38 66.0 5.1 | 38 66.0 5.1 |
| 39 67.0 7.43 | 39 67.0 7.43 |
| 40 68.0 10.32 | 40 68.0 10.32 |
| 41 69.0 29.16 | 41 69.0 29.16 |
| 42 70.0 5.53 | 42 70.0 5.53 |
| 43 71.0 6.11 | 43 71.0 6.11 |
| 44 73.0 4.14 | 44 73.0 4.14 |
| 45 74.0 3.92 | 45 74.0 3.92 |
| 46 75.0 3.49 | 46 75.0 3.49 |
| 47 76.0 4.33 | 47 76.0 4.33 |
| 48 77.0 6.21 | 48 77.0 6.21 |
| 49 78.0 5.1 | 49 78.0 5.1 |
| 50 79.0 35.07 | 50 79.0 35.07 |
| 51 80.0 9.85 | 51 80.0 9.85 |
| 52 81.0 16.0 | 52 81.0 16.0 |
| 53 82.0 5.37 | 53 82.0 5.37 |
| 54 83.0 6.13 | 54 83.0 6.13 |
| 55 84.0 2.96 | 55 84.0 2.96 |
| 56 85.0 3.0 | 56 85.0 3.0 |
| 57 90.0 12.01 | 57 90.0 12.01 |
| 58 91.0 53.25 | 58 91.0 53.25 |
| 59 92.0 28.32 | 59 92.0 28.32 |
| 60 93.0 18.25 | 60 93.0 18.25 |
| 61 94.0 3.51 | 61 94.0 3.51 |
| 62 95.0 6.41 | 62 95.0 6.41 |
| 63 96.0 5.43 | 63 96.0 5.43 |
| 64 97.0 5.12 | 64 97.0 5.12 |
| 65 98.0 2.43 | 65 98.0 2.43 |
| 66 105.0 3.76 | 66 105.0 3.76 |
| 67 106.0 6.35 | 67 106.0 6.35 |
| 68 107.0 38.97 | 68 107.0 38.97 |
| 69 108.0 7.11 | 69 108.0 7.11 |
| 70 109.0 3.98 | 70 109.0 3.98 |
| 71 111.0 2.63 | 71 111.0 2.63 |
| 72 120.0 2.12 | 72 120.0 2.12 |
| 73 121.0 4.45 | 73 121.0 4.45 |
| 74 122.0 4.0 | 74 122.0 4.0 |
| 75 123.0 3.14 | 75 123.0 3.14 |
| 76 126.0 2.12 | 76 126.0 2.12 |
| 77 136.0 2.77 | 77 136.0 2.77 |
| 78 137.0 3.14 | 78 137.0 3.14 |
| 79 138.0 3.55 | 79 138.0 3.55 |
| 80 149.0 4.12 | 80 149.0 4.12 |
| 81 153.0 4.02 | 81 153.0 4.02 |
| 82 154.0 39.3 | 82 154.0 39.3 |
| 83 155.0 3.16 | 83 155.0 3.16 |
| 84 168.0 3.29 | 84 168.0 3.29 |
| 85 183.0 3.26 | 85 183.0 3.26 |
| 86 184.0 99.99 | 86 184.0 99.99 |
| 87 185.0 8.17 | 87 185.0 8.17 |
| 88 186.0 1.34 | 88 186.0 1.34 |
| 89 | 89 |
