Mercurial > repos > recetox > matchms_networking
comparison test-data/remove_key/out_matchms_remove_key.msp @ 25:131baa30af82 draft default tip
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit bd80a813fb2f01f22eed0c874f8911ce4d00762a
author | recetox |
---|---|
date | Mon, 30 Jun 2025 13:01:47 +0000 |
parents | 7985c63a880c |
children |
comparison
equal
deleted
inserted
replaced
24:f04b378325e5 | 25:131baa30af82 |
---|---|
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 |
145 483.3283 36245876.0 | 145 483.3283 36245876.0 |
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 |