Mercurial > repos > recetox > matchms_fingerprint_similarity
comparison test-data/out_matchms_remove_key.msp @ 7:cbfd7c35e0a4 draft
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
author | recetox |
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date | Mon, 04 Dec 2023 19:15:40 +0000 |
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6:da9c5d40d1ba | 7:cbfd7c35e0a4 |
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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 | |
32 494.8953 7188793 | |
33 546.6093 7177067 | |
34 498.8794 6811405 | |
35 500.8484 6520691 | |
36 322.8157 6317648 | |
37 350.9875 6150799 | |
38 550.6949 6104789 | |
39 426.7772 5431633 | |
40 566.5977 5171811 | |
41 510.763 4989757 | |
42 486.7743 4886062 | |
43 460.7076 4528973 | |
44 484.7242 4273989 | |
45 518.7415 4243468 | |
46 334.849 4178412 | |
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 | |
124 576.2749 7386007 | |
125 1059.1626 6608764 | |
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 | |
177 396.9999 10317665 | |
178 454.9592 9820452 | |
179 432.9764 9779399 | |
180 338.0654 8770055 | |
181 360.0459 5025128 | |
182 418.9966 4386311 | |
183 512.8989 4072570 | |
184 456.9603 3774845 | |
185 470.9263 3632486 | |
186 572.871 3485486 | |
187 440.9796 3364168 | |
188 376.0216 2740193 |