Mercurial > repos > computational-metabolomics > dimspy_merge_peaklists

comparison test-data/batch04_QC17_rep03_264.txt @ 1:50ec7a43cb62 draft

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"planemo upload for repository https://github.com/computational-metabolomics/dimspy-galaxy commit 680116d0cf6a6d7246cba655452dea43269aeba4"
author computational-metabolomics
date Tue, 28 Apr 2020 17:21:19 -0400
parents 201a5178b0cb
children
comparison
equal deleted inserted replaced
0:201a5178b0cb 1:50ec7a43cb62
1 mz intensity snr present fraction rsd occurrence purity snr_flag fraction_flag flags 1 mz intensity snr present fraction rsd occurrence purity snr_flag fraction_flag flags
2 98.9954997246 85420.5765625 31.7500402338 10 1.0 7.05084168152 10.0 1.0 1 1 1 2 98.99549972462908 85420.5765625 31.750861261289685 10 1.0 7.050841681521291 10.0 1.0 1 1 1
3 101.75139692 28253.2851562 10.127417772 1 0.1 nan 1.0 1.0 1 0 0 3 101.75139691957963 28253.28515625 10.128283736810419 1 0.1 nan 1.0 1.0 1 0 0
4 101.756447902 26853.5292969 10.2665688721 1 0.1 nan 1.0 1.0 1 0 0 4 101.75644790222432 26853.529296875 10.266568872091154 1 0.1 nan 1.0 1.0 1 0 0
5 101.756740955 31525.3886719 12.052701544 1 0.1 nan 1.0 1.0 1 0 0 5 101.75674095454646 31525.388671875 12.052701544035468 1 0.1 nan 1.0 1.0 1 0 0
6 101.758085047 28712.5615234 10.6823629006 2 0.2 4.91839023478 2.0 1.0 1 0 0 6 101.7580850470755 28712.5615234375 10.682362900564762 2 0.2 4.918390234781693 2.0 1.0 1 0 0
7 101.760442484 29141.4121094 10.9411002292 1 0.1 nan 1.0 1.0 1 0 0 7 101.76044248392215 29141.412109375 10.941115773924851 1 0.1 nan 1.0 1.0 1 0 0
8 101.761256844 32001.2285156 11.7395649133 1 0.1 nan 1.0 1.0 1 0 0 8 101.76125684367226 32001.228515625 11.740321460827143 1 0.1 nan 1.0 1.0 1 0 0
9 101.766362618 33112.40625 12.6594458229 1 0.1 nan 1.0 1.0 1 0 0 9 101.76636261759978 33112.40625 12.659445822856787 1 0.1 nan 1.0 1.0 1 0 0
10 101.767750171 27310.8867188 10.2976928149 1 0.1 nan 1.0 1.0 1 0 0 10 101.7677501708866 27310.88671875 10.297692814911622 1 0.1 nan 1.0 1.0 1 0 0
11 101.769490326 34806.9726562 12.7628240908 1 0.1 nan 1.0 1.0 1 0 0 11 101.76949032649655 34806.97265625 12.762824090755483 1 0.1 nan 1.0 1.0 1 0 0
12 101.769873385 28806.4306641 10.8876126482 2 0.2 1.03022407055 2.0 1.0 1 0 0 12 101.76987338505769 28806.4306640625 10.887905740202623 2 0.2 1.0302240705549333 2.0 1.0 1 0 0
13 101.770108425 28037.5625 10.5026719607 3 0.3 4.16323971928 3.0 1.0 1 0 0 13 101.77010842504119 28037.5625 10.502676715000701 3 0.3 4.163239719276647 3.0 1.0 1 0 0
14 101.770859879 30332.5742188 11.5966679404 1 0.1 nan 1.0 1.0 1 0 0 14 101.77085987865442 30332.57421875 11.596667940435413 1 0.1 nan 1.0 1.0 1 0 0
15 101.771602864 32399.6254883 11.8250759505 2 0.2 2.52714269244 3.0 0.5 1 0 0 15 101.77160286371065 32399.62548828125 11.825563602949366 2 0.2 2.527142692443718 3.0 0.5 1 0 0
16 101.772100078 30805.1582031 11.6704682175 1 0.1 nan 1.0 1.0 1 0 0 16 101.77210007831877 30805.158203125 11.67109054017049 1 0.1 nan 1.0 1.0 1 0 0
17 101.772465507 33580.0410156 12.7489366577 2 0.2 1.49086882587 2.0 1.0 1 0 0 17 101.77246550694736 33580.041015625 12.748936657701023 2 0.2 1.4908688258688887 2.0 1.0 1 0 0
18 101.772821366 28882.328125 10.5954046641 1 0.1 nan 1.0 1.0 1 0 0 18 101.77282136618132 28882.328125 10.596087477048732 1 0.1 nan 1.0 1.0 1 0 0
19 101.773849047 32840.4375 12.1931614411 2 0.2 7.2063030082 2.0 1.0 1 0 0 19 101.7738490470381 32840.4375 12.193170646384926 2 0.2 7.206303008200004 2.0 1.0 1 0 0
20 101.774306451 36274.6321615 13.4675449176 3 0.3 12.3942725934 3.0 1.0 1 0 0 20 101.77430645105403 36274.632161458336 13.467915119085225 3 0.3 12.39427259341221 3.0 1.0 1 0 0
21 101.775137765 32479.0789063 12.137428113 5 0.5 13.1735819318 5.0 1.0 1 1 1 21 101.77513776516075 32479.07890625 12.137460644443214 5 0.5 13.173581931798303 5.0 1.0 1 1 1
22 101.775499566 32751.5283203 12.0937430708 2 0.2 17.5065320988 2.0 1.0 1 0 0 22 101.77549956556238 32751.5283203125 12.093743070819428 2 0.2 17.50653209884894 2.0 1.0 1 0 0
23 101.775737777 43843.3476562 16.6884052338 2 0.2 4.44564078577 2.0 1.0 1 0 0 23 101.77573777714548 43843.34765625 16.688834171732147 2 0.2 4.445640785771416 2.0 1.0 1 0 0
24 101.775984894 41644.5395508 15.4881974415 4 0.4 25.9616578095 4.0 1.0 1 0 0 24 101.77598489428122 41644.53955078125 15.488600136056759 4 0.4 25.961657809504135 4.0 1.0 1 0 0
25 101.776248284 27275.9375 10.0867386152 1 0.1 nan 1.0 1.0 1 0 0 25 101.77624828409948 27275.9375 10.087212186827099 1 0.1 nan 1.0 1.0 1 0 0
26 101.776563626 34666.8588867 13.0352436104 4 0.4 19.7935463089 4.0 1.0 1 0 0 26 101.77656362642395 34666.85888671875 13.035400676003231 4 0.4 19.793546308867086 4.0 1.0 1 0 0
27 101.77683457 32237.9160156 11.9036274712 2 0.2 11.7485156381 2.0 1.0 1 0 0 27 101.7768345702599 32237.916015625 11.903976885368046 2 0.2 11.74851563811064 2.0 1.0 1 0 0
28 101.777092019 26947.5859375 10.3025283532 1 0.1 nan 1.0 1.0 1 0 0 28 101.77709201913086 26947.5859375 10.302528353177555 1 0.1 nan 1.0 1.0 1 0 0
29 101.777347898 32774.7845052 12.1916765256 3 0.3 21.6051672144 3.0 1.0 1 0 0 29 101.7773478983403 32774.784505208336 12.191959133803435 3 0.3 21.60516721441255 3.0 1.0 1 0 0
30 101.777653288 26496.4238281 10.0381134265 1 0.1 nan 1.0 1.0 1 0 0 30 101.77765328787396 26496.423828125 10.038648704534387 1 0.1 nan 1.0 1.0 1 0 0
31 101.777937122 27323.5800781 10.3024789032 1 0.1 nan 2.0 0.0 1 0 0 31 101.77793712245702 27323.580078125 10.30247890322062 1 0.1 nan 2.0 0.0 1 0 0
32 101.778350482 32428.2167969 11.9920698084 1 0.1 nan 1.0 1.0 1 0 0 32 101.7783504816609 32428.216796875 11.992632835095355 1 0.1 nan 1.0 1.0 1 0 0
33 101.778581754 32317.5644531 11.9585912661 1 0.1 nan 1.0 1.0 1 0 0 33 101.7785817541289 32317.564453125 11.95875764120044 1 0.1 nan 1.0 1.0 1 0 0
34 101.779044459 34961.1438802 12.8937254721 3 0.3 13.9606014442 3.0 1.0 1 0 0 34 101.77904445865971 34961.143880208336 12.894004429816798 3 0.3 13.9606014441819 3.0 1.0 1 0 0
35 101.779512282 45484.765625 17.0617958507 3 0.3 34.5353077402 3.0 1.0 1 0 0 35 101.77951228236303 45484.765625 17.062475619014066 3 0.3 34.535307740235865 3.0 1.0 1 0 0
36 101.779872302 40495.5066406 15.0839046164 5 0.5 16.7916554992 5.0 1.0 1 1 1 36 101.77987230194543 40495.506640625 15.084115397694717 5 0.5 16.79165549917267 5.0 1.0 1 1 1
37 101.780273851 44843.65625 16.0742525606 1 0.1 nan 1.0 1.0 1 0 0 37 101.7802738513661 44843.65625 16.075627021218068 1 0.1 nan 1.0 1.0 1 0 0
38 101.7804998 32328.0917969 11.9550432276 1 0.1 nan 1.0 1.0 1 0 0 38 101.78049979974853 32328.091796875 11.955604515896205 1 0.1 nan 1.0 1.0 1 0 0
39 101.780921183 28001.3157552 10.4102564862 3 0.3 2.79935342547 3.0 1.0 1 0 0 39 101.78092118346702 28001.315755208332 10.410473672537416 3 0.3 2.799353425470212 3.0 1.0 1 0 0
40 101.781202219 42613.3046875 15.6007632582 2 0.2 27.3482876936 2.0 1.0 1 0 0 40 101.78120221888678 42613.3046875 15.601290020443244 2 0.2 27.34828769363445 2.0 1.0 1 0 0
41 101.781544745 28122.9257812 10.3119555443 1 0.1 nan 1.0 1.0 1 0 0 41 101.78154474456734 28122.92578125 10.31195554431581 1 0.1 nan 1.0 1.0 1 0 0
42 101.781822059 34380.078776 12.7950135912 3 0.3 15.3827335119 3.0 1.0 1 0 0 42 101.78182205936291 34380.078776041664 12.795607938161657 3 0.3 15.382733511908642 3.0 1.0 1 0 0
43 101.782220802 29428.3717448 11.1123503123 3 0.3 3.50639155256 3.0 1.0 1 0 0 43 101.78222080232301 29428.371744791668 11.112548155697716 3 0.3 3.5063915525631866 3.0 1.0 1 0 0
44 101.782448092 33654.8515625 12.3461920962 1 0.1 nan 1.0 1.0 1 0 0 44 101.78244809159958 33654.8515625 12.346987737275429 1 0.1 nan 1.0 1.0 1 0 0
45 101.782708086 30642.2519531 11.3386690112 1 0.1 nan 1.0 1.0 1 0 0 45 101.78270808633053 30642.251953125 11.33882676151324 1 0.1 nan 1.0 1.0 1 0 0
46 101.78300212 28811.5439453 10.4913719803 2 0.2 0.262206694275 2.0 1.0 1 0 0 46 101.7830021197472 28811.5439453125 10.492063279678169 2 0.2 0.26220669427503945 2.0 1.0 1 0 0
47 101.783428281 29580.3847656 10.8670920684 2 0.2 7.07518715056 2.0 1.0 1 0 0 47 101.78342828129422 29580.384765625 10.867530993586824 2 0.2 7.075187150562598 2.0 1.0 1 0 0
48 101.783648476 30233.8339844 11.0859714386 1 0.1 nan 1.0 1.0 1 0 0 48 101.78364847637285 30233.833984375 11.08597143861047 1 0.1 nan 1.0 1.0 1 0 0
49 101.784016435 38324.0839844 14.2006008062 3 0.3 26.3664157946 3.0 1.0 1 0 0 49 101.7840164345846 38324.083984375 14.20105225469286 3 0.3 26.36641579461961 3.0 1.0 1 0 0
50 101.784388815 37655.234375 14.1376022515 1 0.1 nan 1.0 1.0 1 0 0 50 101.78438881488857 37655.234375 14.137622337752452 1 0.1 nan 1.0 1.0 1 0 0
51 101.785156086 36482.1328125 13.3833726452 1 0.1 nan 1.0 1.0 1 0 0 51 101.78515608594523 36482.1328125 13.38423512666744 1 0.1 nan 1.0 1.0 1 0 0
52 101.786242722 37124.8398438 13.9980880317 1 0.1 nan 1.0 1.0 1 0 0 52 101.78624272183949 37124.83984375 13.99808803173223 1 0.1 nan 1.0 1.0 1 0 0
53 103.038949273 29449.3961589 10.9569475585 6 0.6 7.66828527399 6.0 1.0 1 1 1 53 103.03894927260478 29449.396158854168 10.957200858763606 6 0.6 7.668285273994223 6.0 1.0 1 1 1
54 104.106976337 32586.1182726 12.0941644618 9 0.9 17.6170792711 9.0 1.0 1 1 1 54 104.10697633718807 32586.118272569445 12.09451073965775 9 0.9 17.617079271095278 9.0 1.0 1 1 1
55 106.950565822 28392.0032552 10.7025615848 3 0.3 4.96374597094 3.0 1.0 1 0 0 55 106.95056582242516 28392.003255208332 10.702926050247951 3 0.3 4.963745970943332 3.0 1.0 1 0 0
56 112.052302055 149519.175781 55.5887992567 10 1.0 7.48155395495 10.0 1.0 1 1 1 56 112.05230205451502 149519.17578125 55.59027855798 10 1.0 7.481553954947892 10.0 1.0 1 1 1
57 114.066181487 59698.0101562 22.1827423643 10 1.0 9.66474157002 10.0 1.0 1 1 1 57 114.06618148679513 59698.01015625 22.183350690501435 10 1.0 9.664741570016918 10.0 1.0 1 1 1
58 115.036559049 32148.0800781 11.9990067623 5 0.5 6.29669444669 5.0 1.0 1 1 1 58 115.03655904929846 32148.080078125 11.999129747466677 5 0.5 6.29669444669371 5.0 1.0 1 1 1
59 116.070595603 28806.2565104 10.6441607975 6 0.6 7.88086270725 6.0 1.0 1 1 1 59 116.07059560284296 28806.256510416668 10.644526446712183 6 0.6 7.88086270725497 6.0 1.0 1 1 1
60 118.085737089 27409.1054688 10.2041203927 4 0.4 0.989800101838 4.0 1.0 1 0 0 60 118.08573708888594 27409.10546875 10.204404703457019 4 0.4 0.9898001018376883 4.0 1.0 1 0 0
61 118.0862529 331668.99375 123.268987497 10 1.0 5.00433896619 10.0 1.0 1 1 1 61 118.08625289984793 331668.99375 123.27220791516092 10 1.0 5.004338966190501 10.0 1.0 1 1 1
62 118.086646679 26661.0410156 10.0098485575 1 0.1 nan 1.0 1.0 1 0 0 62 118.08664667944252 26661.041015625 10.00986277914342 1 0.1 nan 1.0 1.0 1 0 0
63 123.013845064 37574.8583984 13.9640426561 10 1.0 15.4785971996 10.0 1.0 1 1 1 63 123.0138450644047 37574.8583984375 13.964395594703399 10 1.0 15.478597199627856 10.0 1.0 1 1 1
64 123.055285245 32350.5798611 12.0354948903 9 0.9 13.2801290829 9.0 1.0 1 1 1 64 123.05528524466192 32350.57986111111 12.0357658579132 9 0.9 13.280129082895883 9.0 1.0 1 1 1
65 128.010844513 39721.0457031 14.7669112958 10 1.0 9.48180919246 10.0 1.0 1 1 1 65 128.0108445126562 39721.045703125 14.767308877341634 10 1.0 9.48180919245585 10.0 1.0 1 1 1
66 128.994869899 49840.0777344 18.5348398326 10 1.0 11.762913999 10.0 1.0 1 1 1 66 128.99486989863576 49840.077734375 18.535338507858036 10 1.0 11.762913999049719 10.0 1.0 1 1 1
67 130.049204165 28654.3066406 10.9084506381 2 0.2 8.87859956697 2.0 1.0 1 0 0 67 130.0492041647217 28654.306640625 10.908721902727038 2 0.2 8.878599566969338 2.0 1.0 1 0 0
68 130.049874606 116097.654688 43.1915883453 10 1.0 12.5165610792 10.0 1.0 1 1 1 68 130.04987460591224 116097.6546875 43.19274006561467 10 1.0 12.51656107923759 10.0 1.0 1 1 1
69 131.009831436 34491.0266927 12.8066445922 9 0.9 8.76356660282 9.0 1.0 1 1 1 69 131.00983143613905 34491.026692708336 12.807012721224565 9 0.9 8.763566602820127 9.0 1.0 1 1 1
70 131.010517363 121051.401563 45.0023028389 10 1.0 9.96025628606 10.0 1.0 1 1 1 70 131.01051736305035 121051.4015625 45.00347406405356 10 1.0 9.96025628606252 10.0 1.0 1 1 1
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72 132.07458108 29073.6572266 10.7220529963 6 0.6 5.80636793325 6.0 1.0 1 1 1 72 132.0745810803387 29073.6572265625 10.722429579019762 6 0.6 5.806367933245521 6.0 1.0 1 1 1
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74 132.075557813 344805.625 128.155425774 10 1.0 1.55419660973 10.0 1.0 1 1 1 74 132.0755578128738 344805.625 128.15878894495137 10 1.0 1.5541966097344453 10.0 1.0 1 1 1
75 132.076092939 1583579.025 588.68757561 10 1.0 6.46160307431 10.0 1.0 1 1 1 75 132.07609293859497 1583579.025 588.7034386810304 10 1.0 6.461603074313242 10.0 1.0 1 1 1
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77 132.077210654 1838368.3875 683.29023344 10 1.0 2.21679223033 10.0 1.0 1 1 1 77 132.07721065405124 1838368.3875 683.3084024874242 10 1.0 2.216792230330793 10.0 1.0 1 1 1
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79 132.078271031 27685.3528646 10.410279747 3 0.3 3.02104962154 3.0 1.0 1 0 0 79 132.0782710307137 27685.352864583332 10.410331725191147 3 0.3 3.0210496215441056 3.0 1.0 1 0 0
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