Mercurial > repos > computational-metabolomics > dimspy_get_peaklists

comparison test-data/batch04_QC18_rep01_280.txt @ 0:afc9136ab094 draft

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"planemo upload for repository https://github.com/computational-metabolomics/dimspy-galaxy commit 6321871098b2c4bc9e321d20b7e66fff3d641839"
author computational-metabolomics
date Sat, 11 Apr 2020 16:47:41 -0400
parents
children 657c7f8f26b5
comparison
equal deleted inserted replaced
-1:000000000000 0:afc9136ab094
1 mz intensity snr present fraction rsd occurrence purity snr_flag fraction_flag rsd_flag flags
2 98.9954996926 80208.3953125 30.813462032 10 1.0 13.1883919759 10.0 1.0 1 1 1 1
3 101.759610091 26695.9101562 10.1854822123 1 0.1 nan 1.0 1.0 1 0 0 0
4 101.760365942 26872.4453125 10.4309947507 1 0.1 nan 1.0 1.0 1 0 0 0
5 101.762686038 27960.1679688 10.5797635172 2 0.2 1.58269631786 2.0 1.0 1 0 1 0
6 101.763597815 25178.9960938 10.045997821 1 0.1 nan 1.0 1.0 1 0 0 0
7 101.764306425 30354.375 10.7879123064 1 0.1 nan 1.0 1.0 1 0 0 0
8 101.766635331 26666.5117188 10.639491647 1 0.1 nan 1.0 1.0 1 0 0 0
9 101.769521884 29821.4394531 11.1879744811 1 0.1 nan 1.0 1.0 1 0 0 0
10 101.772366701 25563.8984375 10.1519753986 1 0.1 nan 1.0 1.0 1 0 0 0
11 101.773920395 28159.5273438 10.6573236318 2 0.2 4.93272189105 2.0 1.0 1 0 1 0
12 101.774461656 39659.5976562 15.3945444919 1 0.1 nan 1.0 1.0 1 0 0 0
13 101.774756214 27996.7070312 11.4500128305 1 0.1 nan 1.0 1.0 1 0 0 0
14 101.775223997 29176.7802734 11.2965104593 2 0.2 4.86114296476 2.0 1.0 1 0 1 0
15 101.775895949 28494.4648438 10.6053604475 1 0.1 nan 1.0 1.0 1 0 0 0
16 101.776230073 35452.1953125 13.7415439949 2 0.2 6.33353983854 2.0 1.0 1 0 1 0
17 101.776634346 31432.4414062 11.990010385 2 0.2 4.63037911522 2.0 1.0 1 0 1 0
18 101.777200694 28648.8056641 11.1574371861 2 0.2 8.6734633642 2.0 1.0 1 0 1 0
19 101.777861086 34541.4423828 13.0476351511 2 0.2 27.2003805059 2.0 1.0 1 0 0 0
20 101.778316176 33541.15625 12.7971980864 1 0.1 nan 1.0 1.0 1 0 0 0
21 101.778950382 30378.1269531 11.465730304 3 0.3 5.6452635977 3.0 1.0 1 0 1 0
22 101.77924867 33468.6142578 12.514458002 2 0.2 28.6592456843 2.0 1.0 1 0 0 0
23 101.77964831 31006.5864258 11.9330965986 4 0.4 22.4750843872 4.0 1.0 1 0 0 0
24 101.77999156 30660.2265625 11.6980163048 1 0.1 nan 1.0 1.0 1 0 0 0
25 101.7802938 27678.9160156 10.7373559474 3 0.3 3.67107118461 3.0 1.0 1 0 1 0
26 101.780889738 28330.7539062 10.7263414054 3 0.3 7.43916580344 3.0 1.0 1 0 1 0
27 101.781166737 30922.6103516 12.1240743046 2 0.2 17.8866562173 2.0 1.0 1 0 1 0
28 101.781573867 30871.9589844 12.0861630787 3 0.3 18.135680603 3.0 1.0 1 0 1 0
29 101.782027196 37854.2391183 14.4745642608 7 0.7 15.191408057 7.0 1.0 1 0 1 0
30 101.782258282 36488.1171875 14.558147767 1 0.1 nan 1.0 1.0 1 0 0 0
31 101.78255315 31276.8271484 11.9478572064 4 0.4 14.2901695006 4.0 1.0 1 0 1 0
32 101.782960793 35079.5397135 13.2258264528 3 0.3 18.8259928443 3.0 1.0 1 0 1 0
33 101.783306568 27601.1855469 10.4869504452 2 0.2 4.12336147226 2.0 1.0 1 0 1 0
34 101.783551695 30512.7109375 11.4780957032 4 0.4 11.3320608671 4.0 1.0 1 0 1 0
35 101.783934368 36408.4873047 14.1709914265 6 0.6 23.7479821355 6.0 1.0 1 0 0 0
36 101.784513206 36275.29375 13.982735417 5 0.5 17.9177469008 5.0 1.0 1 0 1 0
37 101.784794482 28211.6201172 11.2276749833 2 0.2 10.9236493644 2.0 1.0 1 0 1 0
38 101.78503503 27375.6393229 10.5444074502 3 0.3 3.54293968257 3.0 1.0 1 0 1 0
39 101.785241914 28881.3115234 11.2929617899 2 0.2 12.2007937569 2.0 1.0 1 0 1 0
40 101.785521731 31990.8730469 11.906689301 1 0.1 nan 1.0 1.0 1 0 0 0
41 101.78587928 38187.5950521 14.6534414982 3 0.3 25.6294976936 3.0 1.0 1 0 0 0
42 101.786192531 34321.7460938 13.6299055809 1 0.1 nan 1.0 1.0 1 0 0 0
43 101.786403562 28921.0570312 11.151531328 5 0.5 10.4107435987 5.0 1.0 1 0 1 0
44 101.786776769 30197.3951823 11.0918968169 3 0.3 10.9584261249 3.0 1.0 1 0 1 0
45 101.78709869 25948.7089844 10.3047919659 1 0.1 nan 1.0 1.0 1 0 0 0
46 101.787960585 30159.4296875 11.5069436786 1 0.1 nan 1.0 1.0 1 0 0 0
47 101.788209622 28098.8203125 10.9070329765 1 0.1 nan 1.0 1.0 1 0 0 0
48 101.788779334 36877.4960938 13.7254424893 1 0.1 nan 1.0 1.0 1 0 0 0
49 101.789142045 25685.3710938 10.2002148102 1 0.1 nan 1.0 1.0 1 0 0 0
50 101.789393072 33440.5078125 12.9804994446 1 0.1 nan 1.0 1.0 1 0 0 0
51 101.789979587 30370.3769531 12.1172718546 1 0.1 nan 1.0 1.0 1 0 0 0
52 101.792263999 28546.9765625 11.3334774309 1 0.1 nan 1.0 1.0 1 0 0 0
53 103.038954516 32797.6232639 12.6164363987 9 0.9 13.3224048039 9.0 1.0 1 1 1 1
54 104.106978239 25770.8183594 10.0033795921 1 0.1 nan 1.0 1.0 1 0 0 0
55 112.052302597 121733.801562 46.9193741115 10 1.0 6.21722884493 10.0 1.0 1 1 1 1
56 114.066182793 60262.403125 23.1806317936 10 1.0 7.02708067277 10.0 1.0 1 1 1 1
57 116.070603392 31275.6937934 12.0184909928 9 0.9 12.993820821 9.0 1.0 1 1 1 1
58 118.08569842 26717.422526 10.2946460729 3 0.3 9.8017899619 3.0 1.0 1 0 1 0
59 118.086255296 323197.540625 124.265641939 10 1.0 5.886612596 10.0 1.0 1 1 1 1
60 118.086654839 27104.4546875 10.4330709922 5 0.5 3.14901670751 5.0 1.0 1 0 1 0
61 123.013845356 39253.1345703 15.06389601 10 1.0 13.5618723162 10.0 1.0 1 1 1 1
62 123.055297502 31510.9865723 12.2482251026 8 0.8 13.7679133057 8.0 1.0 1 1 1 1
63 126.021931211 27008.9921875 10.7228799771 1 0.1 nan 1.0 1.0 1 0 0 0
64 128.010840885 32085.1751302 12.3165216688 9 0.9 23.440879083 9.0 1.0 1 1 0 0
65 128.994860012 32113.2832031 12.4074150744 6 0.6 14.1768452696 6.0 1.0 1 0 1 0
66 130.049215993 37624.1371528 14.588705291 9 0.9 14.4178987898 9.0 1.0 1 1 1 1
67 130.049876889 147514.230469 56.8812925301 10 1.0 9.67101592345 10.0 1.0 1 1 1 1
68 131.009839484 30733.4636719 11.7955759393 10 1.0 11.1927166935 10.0 1.0 1 1 1 1
69 131.010521887 93111.3210937 35.758377678 10 1.0 15.1018710816 10.0 1.0 1 1 1 1
70 131.018942514 54322.8375 20.9180183987 10 1.0 16.2439372357 10.0 1.0 1 1 1 1
71 132.074591092 34920.3964844 13.4405903912 10 1.0 9.39074188168 10.0 1.0 1 1 1 1
72 132.075013619 80519.4710938 30.9744155312 10 1.0 7.56550454748 10.0 1.0 1 1 1 1
73 132.075574261 424352.515625 163.278684085 10 1.0 3.63375784894 10.0 1.0 1 1 1 1
74 132.076109332 1927520.625 741.681781563 10 1.0 2.63465129636 10.0 1.0 1 1 1 1
75 132.076669638 19582926.8 7537.21683915 10 1.0 3.88024463677 10.0 1.0 1 1 1 1
76 132.077197703 2238931.725 861.641794933 10 1.0 3.3984460211 10.0 1.0 1 1 1 1
77 132.078013368 48363.871875 18.650830993 5 0.5 6.04062242534 5.0 1.0 1 0 1 0
78 132.078371184 28818.4515625 11.0800058153 10 1.0 6.44695117975 18.0 0.2 1 1 1 1
79 132.078689949 26779.0410156 10.3171932876 4 0.4 6.03387645319 4.0 1.0 1 0 1 0
80 132.101253754 74106.5054687 28.505300624 10 1.0 7.47559924556 10.0 1.0 1 1 1 1
81 132.101915057 244051.21875 93.8495694361 10 1.0 7.31852215201 10.0 1.0 1 1 1 1
82 133.034596084 39359.6835938 14.6492883407 1 0.1 nan 1.0 1.0 1 0 0 0
83 133.073132106 33301.225 12.8258139675 10 1.0 12.730113568 10.0 1.0 1 1 1 1
84 133.073804849 126845.666406 48.8488904298 10 1.0 7.21712330164 10.0 1.0 1 1 1 1
85 133.078935035 39275.7597656 15.1181373383 10 1.0 5.40754781314 10.0 1.0 1 1 1 1
86 133.079469203 145155.9875 55.8851759579 10 1.0 3.89958675896 10.0 1.0 1 1 1 1
87 133.080116687 559205.71875 215.1859802 10 1.0 3.46035590317 10.0 1.0 1 1 1 1
88 133.080633754 49866.2903646 19.3777723356 6 0.6 4.58366951761 6.0 1.0 1 0 1 0
89 133.105280127 27935.4550781 10.3973024934 1 0.1 nan 1.0 1.0 1 0 0 0
90 134.081000219 59811.684375 23.0885194725 10 1.0 10.9476821707 10.0 1.0 1 1 1 1
91 134.996426657 31809.9726562 11.8393599492 1 0.1 nan 1.0 1.0 1 0 0 0
92 135.002861285 52213.2132812 20.1092627261 10 1.0 15.1407930625 10.0 1.0 1 1 1 1
93 136.046911654 28072.8763021 10.9117326034 3 0.3 5.4783785494 3.0 1.0 1 0 1 0
94 136.047425251 65101.6636719 25.0481735733 10 1.0 12.832147126 10.0 1.0 1 1 1 1
95 136.048125817 429334.659375 165.262843453 10 1.0 7.7332859201 10.0 1.0 1 1 1 1
96 136.048701315 35535.3808594 13.6439624891 8 0.8 10.6487425445 8.0 1.0 1 1 1 1
97 136.061771534 63416.9371094 24.4038589316 10 1.0 7.9572932801 10.0 1.0 1 1 1 1
98 136.940047895 95356.44375 36.6529996569 10 1.0 12.858562933 10.0 1.0 1 1 1 1
99 137.029483454 32126.6386719 11.6742926663 2 0.2 6.9229909204 2.0 1.0 1 0 1 0
100 137.04506612 34005.4982422 13.1125932393 10 1.0 12.0485422189 10.0 1.0 1 1 1 1
101 137.045784698 228800.896875 88.0796532303 10 1.0 4.57455449614 10.0 1.0 1 1 1 1
102 139.015603711 76355.078125 29.3812802242 10 1.0 7.29773228142 10.0 1.0 1 1 1 1
103 140.066919165 48037.8378906 18.4631009724 10 1.0 10.6313972892 10.0 1.0 1 1 1 1
104 140.067482967 134962.080469 51.8726146575 10 1.0 11.500933161 10.0 1.0 1 1 1 1
105 140.068181237 899285.99375 345.735476679 10 1.0 11.684680746 10.0 1.0 1 1 1 1
106 140.068737603 79999.1138393 30.5855087195 7 0.7 4.51168648148 7.0 1.0 1 0 1 0
107 141.015856106 91548.584375 35.2112746718 10 1.0 9.79816363379 10.0 1.0 1 1 1 1
108 141.07157966 44360.1582031 17.0477815188 10 1.0 11.4259470197 10.0 1.0 1 1 1 1
109 142.948078935 29406.4472656 10.4510198066 1 0.1 nan 1.0 1.0 1 0 0 0
110 144.101949803 60509.5671875 23.332585243 10 1.0 8.78779874828 10.0 1.0 1 1 1 1
111 146.116758599 45973.1597656 17.7085168093 10 1.0 7.01021531679 10.0 1.0 1 1 1 1
112 146.117597965 273183.310937 105.189757532 10 1.0 8.94612892159 10.0 1.0 1 1 1 1
113 146.165213291 30949.6914062 11.979948463 8 0.8 14.4651710786 8.0 1.0 1 1 1 1
114 147.075025327 84678.6460937 32.5635942712 10 1.0 5.83643972072 10.0 1.0 1 1 1 1
115 147.075636434 302258.290625 116.228893219 10 1.0 6.33601436788 10.0 1.0 1 1 1 1
116 147.076387427 2025657.55 778.363614358 10 1.0 7.50220988158 10.0 1.0 1 1 1 1
117 147.076958262 165351.295139 63.3088471807 9 0.9 5.45321276493 9.0 1.0 1 1 1 1
118 147.112853976 47504.9675781 18.2319393011 10 1.0 11.5826352231 10.0 1.0 1 1 1 1
119 147.120943958 26223.8164062 10.0053608954 1 0.1 nan 1.0 1.0 1 0 0 0
120 148.002469709 34589.8027344 13.3087131881 10 1.0 9.26746260862 10.0 1.0 1 1 1 1
121 148.003078083 90639.7226562 34.8388683878 10 1.0 10.2752556693 10.0 1.0 1 1 1 1
122 148.003910804 522211.665625 200.833141743 10 1.0 7.65661223132 10.0 1.0 1 1 1 1
123 148.004546124 41330.7238281 15.9006624811 10 1.0 8.81571122156 10.0 1.0 1 1 1 1
124 148.05901425 38499.3816406 14.7925626434 10 1.0 7.81185199745 10.0 1.0 1 1 1 1
125 148.059634675 101054.014844 38.829875881 10 1.0 8.50883618082 10.0 1.0 1 1 1 1
126 148.060461085 623525.5125 239.581257979 10 1.0 7.10988544914 10.0 1.0 1 1 1 1
127 148.061100137 49806.7003906 19.1323917496 10 1.0 9.81866018195 10.0 1.0 1 1 1 1
128 148.079824075 64168.5582031 24.6441940866 10 1.0 13.2913272641 10.0 1.0 1 1 1 1
129 149.063842077 27666.5830078 10.8780114105 2 0.2 10.2708186195 2.0 1.0 1 0 1 0
130 150.976846547 96863.7851562 37.1284976534 10 1.0 17.0197653221 10.0 1.0 1 1 1 1
131 152.022112839 71449.8628906 27.4291936548 10 1.0 15.0713262253 10.0 1.0 1 1 1 1
132 156.041288131 66600.125 31.5020008191 11 1.0 9.94104951789 11.0 1.0 1 1 1 1
133 156.042089372 522339.3125 247.023829845 11 1.0 4.09322624072 11.0 1.0 1 1 1 1
134 156.076742241 34311.2647372 16.221738673 11 1.0 7.23964902441 11.0 1.0 1 1 1 1
135 156.989757901 40824.9264915 19.3063650982 11 1.0 10.424161794 11.0 1.0 1 1 1 1
136 157.045477013 28706.0037287 13.5697189355 11 1.0 7.15486235046 11.0 1.0 1 1 1 1
137 158.040253971 37144.940696 17.5644978012 11 1.0 7.04540969015 11.0 1.0 1 1 1 1
138 158.921990298 28480.7851562 13.0346668049 1 0.0909090909091 nan 1.0 1.0 1 0 0 0
139 159.013827565 25165.5578613 11.8515867431 8 0.727272727273 15.0265097229 8.0 1.0 1 0 1 0
140 159.027717102 22983.5106027 10.9440568474 7 0.636363636364 5.27943337177 7.0 1.0 1 0 1 0
141 160.13319496 60008.7791193 28.3470121492 11 1.0 13.9459157662 11.0 1.0 1 1 1 1
142 161.128431462 45557.1420455 21.5562872298 11 1.0 9.85533618827 11.0 1.0 1 1 1 1
143 162.110690868 62368.3206676 29.4879146246 11 1.0 2.84149232573 11.0 1.0 1 1 1 1
144 162.111551833 430608.53125 203.451736674 1 0.0909090909091 nan 1.0 1.0 1 0 0 0
145 162.112342138 3322454.54545 1571.21907407 11 1.0 2.27309485661 11.0 1.0 1 1 1 1
146 162.113085036 286819.289773 135.631772178 11 1.0 2.93949282412 11.0 1.0 1 1 1 1
147 163.045142665 24015.7097656 11.3066411311 10 0.909090909091 8.33763181524 10.0 1.0 1 1 1 1
148 163.114855181 24080.1553622 11.3822121397 11 1.0 8.00417457718 11.0 1.0 1 1 1 1
149 163.1158098 193684.607955 91.5844428075 11 1.0 4.53318638476 11.0 1.0 1 1 1 1
150 163.976860573 52888.3629261 25.0089866508 11 1.0 9.83568463676 11.0 1.0 1 1 1 1
151 163.977787398 461761.96875 218.32202049 11 1.0 5.92226503094 11.0 1.0 1 1 1 1
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153 165.975934395 34182.1882102 16.1561102593 11 1.0 14.3962626379 11.0 1.0 1 1 1 1
154 166.086242973 55146.2713068 26.0734456045 11 1.0 5.63935063152 11.0 1.0 1 1 1 1
155 166.950722382 75948.0 35.8811987482 11 1.0 8.18148380988 11.0 1.0 1 1 1 1
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157 167.040039708 23611.8942522 11.1879943298 7 0.636363636364 8.2898383016 7.0 1.0 1 0 1 0
158 168.005747309 48871.9762074 23.0912920588 11 1.0 8.50984082741 11.0 1.0 1 1 1 1
159 169.026116875 22359.0761719 10.3289377092 1 0.0909090909091 nan 1.0 1.0 1 0 0 0
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171 175.001672586 111279.06321 52.5989425098 11 1.0 8.4150446857 11.0 1.0 1 1 1 1
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179 191.040100269 41608.753196 19.6409617151 11 1.0 23.0515592444 11.0 1.0 1 1 0 0
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181 193.001973877 22105.5273438 10.4038706559 3 0.272727272727 5.53970922173 3.0 1.0 1 0 1 0
182 194.11510395 21387.5839844 10.1366874692 1 0.0909090909091 nan 1.0 1.0 1 0 0 0
183 198.084899067 23256.4941406 10.9180210978 5 0.454545454545 6.96920321964 5.0 1.0 1 0 1 0
184 198.097227569 22530.3196615 10.7729462084 3 0.272727272727 4.96215531111 3.0 1.0 1 0 1 0
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186 199.169203681 21951.0292969 10.0462241943 1 0.0909090909091 nan 1.0 1.0 1 0 0 0
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188 200.068346055 278524.397727 131.740345665 11 1.0 6.6854437992 11.0 1.0 1 1 1 1
189 201.071734294 24485.59375 11.7662410366 3 0.272727272727 3.57148300866 3.0 1.0 1 0 1 0
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191 202.06651835 25382.1653646 12.0930916486 3 0.272727272727 13.9034540743 3.0 1.0 1 0 1 0
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