Mercurial > repos > recetox > matchms_metadata_merge

comparison test-data/similarity/fill.mgf @ 0:107186a6fcec draft

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f5f5a8eff32c9b5de792dce99bc3c63dc971e82c
author recetox
date Thu, 23 Nov 2023 09:56:32 +0000
parents
children
comparison
equal deleted inserted replaced
-1:000000000000 0:107186a6fcec
1 BEGIN IONS
2 NAME=C001
3 IONMODE=Negative
4 RETENTIONTIME=38.74
5 RETENTIONINDEX=
6 SPECTRUMTYPE=Centroid
7 NUM PEAKS=57
8 138.9121 10186226.0
9 148.9337 1008656.0
10 175.0641 26780143.0
11 186.1095 2675456.0
12 196.8658 21390430.0
13 198.8647 21688594.0
14 200.8848 7742528.0
15 206.9034 26130980.0
16 216.9205 32607700.0
17 234.0134 2550129.0
18 254.8252 23747536.0
19 256.8215 31377637.0
20 258.8237 15532799.0
21 266.8652 9805546.0
22 268.8537 3090354.0
23 306.9914 3169316.0
24 312.7841 10051801.0
25 316.7777 10734168.0
26 322.8157 6317648.0
27 324.9549 8619910.0
28 334.849 4178412.0
29 342.8093 3285552.0
30 349.9455 2050695.0
31 350.9875 6150799.0
32 351.941 1965882.0
33 366.8281 3253770.0
34 370.7418 9765463.0
35 372.7383 19374863.0
36 382.8218 12815572.0
37 384.8177 8311500.0
38 392.7685 10913351.0
39 413.2664 3965867.0
40 426.7772 5431633.0
41 428.7834 8554675.0
42 434.7287 9943329.0
43 436.8161 3705247.0
44 440.7322 10603010.0
45 442.7401 8271752.0
46 450.7016 8762673.0
47 460.7076 4528973.0
48 462.7862 2123666.0
49 484.7242 4273989.0
50 486.7743 4886062.0
51 488.6825 12267966.0
52 492.744 7662344.0
53 494.8953 7188793.0
54 498.8794 6811405.0
55 500.8484 6520691.0
56 502.7832 3567833.0
57 510.763 4989757.0
58 518.7415 4243468.0
59 546.6093 7177067.0
60 550.6949 6104789.0
61 566.5977 5171811.0
62 612.6927 2005587.0
63 676.6436 1982714.0
64 800.4451 2792137.0
65 END IONS
66
67 BEGIN IONS
68 NAME=C002
69 IONMODE=Negative
70 RETENTIONTIME=520.25
71 RETENTIONINDEX=
72 SPECTRUMTYPE=Centroid
73 NUM PEAKS=35
74 131.1733 1971789.0
75 267.2688 6103973.0
76 279.0196 1946255.0
77 289.6491 46498377.0
78 301.1565 15185412.0
79 309.1649 18045974.0
80 310.1623 295359836.0
81 311.1658 13124727.0
82 312.0296 38757284.0
83 330.6757 12666597.0
84 525.375 1073323842.0
85 526.3783 181668883.0
86 527.3812 23642795.0
87 551.3321 111616808.0
88 552.3348 28340614.0
89 553.3314 2609936.0
90 562.3269 7538206.0
91 578.2905 7578406.0
92 619.3008 4742103.0
93 624.296 11790213.0
94 813.5403 25060147.0
95 814.5336 5865975.0
96 955.1171 2322927.0
97 1047.7378 150394804.0
98 1048.7399 90978863.0
99 1049.7432 29946438.0
100 1050.7453 6807767.0
101 1069.7158 5074652.0
102 1074.1979 3402288.0
103 1075.1968 33352763.0
104 1076.2004 10417953.0
105 1101.6535 2023916.0
106 1206.3127 3738816.0
107 1216.8041 4439324.0
108 1217.807 3565334.0
109 END IONS
110
111 BEGIN IONS
112 NAME=C003
113 IONMODE=Negative
114 RETENTIONTIME=483.67
115 RETENTIONINDEX=
116 SPECTRUMTYPE=Centroid
117 NUM PEAKS=26
118 265.2529 11366224.0
119 266.2564 1420444.0
120 279.6362 29849749.0
121 280.6546 8848921.0
122 288.6414 202172046.0
123 378.2093 15309961.0
124 379.1966 2902366.0
125 522.3565 4089569222.0
126 523.354 1201714423.0
127 549.3267 63300808.0
128 576.2749 7386007.0
129 577.3074 2354251.0
130 617.2778 2323470.0
131 625.4543 4040374.0
132 796.9808 13576738.0
133 797.9841 6368973.0
134 809.9883 12596682.0
135 810.9916 6601055.0
136 1043.7028 144351468.0
137 1044.7068 83271854.0
138 1045.706 27998321.0
139 1046.7131 6505178.0
140 1058.1594 20718345.0
141 1059.1626 6608764.0
142 1071.1639 15461047.0
143 1072.1671 5096642.0
144 END IONS
145
146 BEGIN IONS
147 NAME=C004
148 IONMODE=Negative
149 RETENTIONTIME=473.48
150 RETENTIONINDEX=
151 SPECTRUMTYPE=Centroid
152 NUM PEAKS=24
153 124.1405 6517662.0
154 170.2437 1237313.0
155 275.6336 28001849.0
156 296.147 190395687.0
157 482.3247 145772322.0
158 483.3283 36245876.0
159 496.34 12577588056.0
160 497.3442 3337125302.0
161 498.3462 532285213.0
162 499.3493 68176083.0
163 770.964 49250157.0
164 771.9675 22666873.0
165 783.9721 9839299.0
166 784.9749 3622908.0
167 949.6233 8009033.0
168 950.6274 3674694.0
169 991.6726 1420557258.0
170 992.6749 763118028.0
171 993.6787 239161906.0
172 994.6801 53549573.0
173 1017.6897 168186952.0
174 1018.6656 120599518.0
175 1019.6555 57647644.0
176 1020.6591 12469103.0
177 END IONS
178
179 BEGIN IONS
180 NAME=C005
181 IONMODE=Negative
182 RETENTIONTIME=41.72
183 RETENTIONINDEX=
184 SPECTRUMTYPE=Centroid
185 NUM PEAKS=20
186 218.1386 14009249.0
187 337.0623 88672453.0
188 338.0654 8770055.0
189 353.0361 37061354.0
190 359.0443 48435582.0
191 360.0459 5025128.0
192 375.018 29159485.0
193 376.0216 2740193.0
194 381.0261 13522755.0
195 396.9999 10317665.0
196 417.0027 13822994.0
197 418.9966 4386311.0
198 432.9764 9779399.0
199 438.9851 11307111.0
200 440.9796 3364168.0
201 454.9592 9820452.0
202 456.9603 3774845.0
203 470.9263 3632486.0
204 512.8989 4072570.0
205 572.871 3485486.0
206 END IONS
207
208 BEGIN IONS
209 NAME=C006
210 IONMODE=Negative
211 RETENTIONTIME=452.08
212 RETENTIONINDEX=
213 SPECTRUMTYPE=Centroid
214 NUM PEAKS=19
215 265.6196 4371245.0
216 274.6257 21694276.0
217 290.6256 9704443.0
218 471.1945 2160605.0
219 484.3311 5283943.0
220 494.3249 803829845.0
221 495.3278 207959661.0
222 516.3076 24092471.0
223 542.3239 193323900.0
224 543.3276 55501736.0
225 987.6411 7453650.0
226 988.6455 3739523.0
227 1001.658 11852076.0
228 1037.6578 7076912.0
229 1061.6562 9417442.0
230 1062.6592 5657208.0
231 1087.6715 34676828.0
232 1088.6773 21466528.0
233 1089.682 9948820.0
234 END IONS