Mercurial > repos > computational-metabolomics > dimspy_align_samples

comparison test-data/batch04_QC18_rep02_281.txt @ 1:c72868b80c29 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 17:44:59 -0400
parents 33b65dacd377
children
comparison
equal deleted inserted replaced
0:33b65dacd377 1:c72868b80c29
1 mz intensity snr present fraction rsd occurrence purity snr_flag fraction_flag rsd_flag flags 1 mz intensity snr present fraction rsd occurrence purity snr_flag fraction_flag rsd_flag flags
2 98.9955003428 105195.025 39.8878170701 10 1.0 6.59810533669 10.0 1.0 1 1 1 1 2 98.99550034276376 105195.025 39.88849610312294 10 1.0 6.59810533669321 10.0 1.0 1 1 1 1
3 101.75276154 30539.2851562 10.905372815 1 0.1 nan 1.0 1.0 1 0 0 0 3 101.75276154043716 30539.28515625 10.905372815037811 1 0.1 nan 1.0 1.0 1 0 0 0
4 101.754367433 28890.609375 11.6182835689 1 0.1 nan 1.0 1.0 1 0 0 0 4 101.75436743344501 28890.609375 11.618283568901125 1 0.1 nan 1.0 1.0 1 0 0 0
5 101.764014372 34162.859375 13.7385052212 1 0.1 nan 1.0 1.0 1 0 0 0 5 101.76401437202699 34162.859375 13.738505221239981 1 0.1 nan 1.0 1.0 1 0 0 0
6 101.766739909 30527.2636719 10.9860538077 1 0.1 nan 1.0 1.0 1 0 0 0 6 101.76673990889067 30527.263671875 10.986053807731079 1 0.1 nan 1.0 1.0 1 0 0 0
7 101.773634898 26218.9941406 10.5439004371 1 0.1 nan 1.0 1.0 1 0 0 0 7 101.773634897506 26218.994140625 10.54390043709967 1 0.1 nan 1.0 1.0 1 0 0 0
8 101.774158597 27432.5058594 10.7123940664 1 0.1 nan 1.0 1.0 1 0 0 0 8 101.77415859723769 27432.505859375 10.712394066382716 1 0.1 nan 1.0 1.0 1 0 0 0
9 101.77479808 28445.8359375 11.1080994814 1 0.1 nan 1.0 1.0 1 0 0 0 9 101.77479807972097 28445.8359375 11.108099481405297 1 0.1 nan 1.0 1.0 1 0 0 0
10 101.77622332 24926.2285156 10.1709657094 1 0.1 nan 1.0 1.0 1 0 0 0 10 101.77622332035418 24926.228515625 10.171967385449484 1 0.1 nan 1.0 1.0 1 0 0 0
11 101.776969969 44213.7421875 15.9114998296 1 0.1 nan 1.0 1.0 1 0 0 0 11 101.77696996911479 44213.7421875 15.911499829594472 1 0.1 nan 1.0 1.0 1 0 0 0
12 101.777243997 50399.2695312 17.9972393274 1 0.1 nan 1.0 1.0 1 0 0 0 12 101.77724399683738 50399.26953125 17.99723932737091 1 0.1 nan 1.0 1.0 1 0 0 0
13 101.777609701 29847.8076172 11.0422023469 2 0.2 5.27400798004 2.0 1.0 1 0 1 0 13 101.77760970068348 29847.8076171875 11.042339713754354 2 0.2 5.274007980040388 2.0 1.0 1 0 1 0
14 101.778082594 31667.015625 11.2058317141 1 0.1 nan 1.0 1.0 1 0 0 0 14 101.77808259387577 31667.015625 11.206052445717322 1 0.1 nan 1.0 1.0 1 0 0 0
15 101.778680373 29145.5693359 11.1875235601 2 0.2 1.0772498522 2.0 1.0 1 0 1 0 15 101.77868037323323 29145.5693359375 11.187553215703712 2 0.2 1.0772498521994645 2.0 1.0 1 0 1 0
16 101.779140226 33941.5546875 12.1203003245 1 0.1 nan 1.0 1.0 1 0 0 0 16 101.77914022641893 33941.5546875 12.120300324496291 1 0.1 nan 1.0 1.0 1 0 0 0
17 101.779433995 30815.0498047 11.6000745156 4 0.4 22.1207317469 4.0 1.0 1 0 0 0 17 101.77943399539149 30815.0498046875 11.60008779150814 4 0.4 22.120731746853217 4.0 1.0 1 0 0 0
18 101.779687104 28044.1464844 11.4432093914 1 0.1 nan 1.0 1.0 1 0 0 0 18 101.77968710415598 28044.146484375 11.444336362920389 1 0.1 nan 1.0 1.0 1 0 0 0
19 101.779918096 32491.3808594 12.3725593366 2 0.2 1.45184918827 2.0 1.0 1 0 1 0 19 101.7799180963907 32491.380859375 12.37255933662598 2 0.2 1.4518491882658802 2.0 1.0 1 0 1 0
20 101.780229878 27883.6722656 10.7421722127 5 0.5 3.43273939094 5.0 1.0 1 0 1 0 20 101.78022987771892 27883.672265625 10.742405306414202 5 0.5 3.4327393909377455 5.0 1.0 1 0 1 0
21 101.78051274 30596.7617188 12.4847854165 1 0.1 nan 1.0 1.0 1 0 0 0 21 101.7805127401089 30596.76171875 12.48601496645994 1 0.1 nan 1.0 1.0 1 0 0 0
22 101.780756311 28322.0390625 10.9058683901 3 0.3 7.9747057008 3.0 1.0 1 0 1 0 22 101.78075631090111 28322.0390625 10.90601512430021 3 0.3 7.974705700803988 3.0 1.0 1 0 1 0
23 101.781017275 33226.3365885 12.7279935689 3 0.3 13.844035819 3.0 1.0 1 0 1 0 23 101.78101727497177 33226.336588541664 12.728442862873202 3 0.3 13.844035819011566 3.0 1.0 1 0 1 0
24 101.781353915 27153.9111328 10.6442155128 2 0.2 5.90577076511 2.0 1.0 1 0 1 0 24 101.78135391463857 27153.9111328125 10.64442541240514 2 0.2 5.905770765113562 2.0 1.0 1 0 1 0
25 101.781614302 36071.9811198 13.9365635497 3 0.3 11.0625394324 3.0 1.0 1 0 1 0 25 101.78161430209282 36071.981119791664 13.936590816998793 3 0.3 11.062539432384641 3.0 1.0 1 0 1 0
26 101.781947285 27553.6630859 10.8040550405 2 0.2 4.41475486157 2.0 1.0 1 0 1 0 26 101.7819472847919 27553.6630859375 10.804284250858865 2 0.2 4.414754861569355 2.0 1.0 1 0 1 0
27 101.782251699 35701.7200521 13.7986133762 3 0.3 15.2782118111 3.0 1.0 1 0 1 0 27 101.78225169866823 35701.720052083336 13.798613376175103 3 0.3 15.278211811122015 3.0 1.0 1 0 1 0
28 101.782674676 33287.2285156 12.8201347285 3 0.3 28.5859542575 3.0 1.0 1 0 0 0 28 101.78267467618002 33287.228515625 12.820521214055423 3 0.3 28.58595425752124 3.0 1.0 1 0 0 0
29 101.782953806 40894.3466797 15.2835919484 2 0.2 34.0556867686 2.0 1.0 1 0 0 0 29 101.78295380594969 40894.3466796875 15.28359194839649 2 0.2 34.055686768566915 2.0 1.0 1 0 0 0
30 101.783287539 39964.2141927 15.3298108622 3 0.3 25.1667853997 3.0 1.0 1 0 0 0 30 101.78328753858108 39964.214192708336 15.329810862205719 3 0.3 25.166785399728948 3.0 1.0 1 0 0 0
31 101.783528904 30674.2683594 11.5708923083 5 0.5 8.34030148482 5.0 1.0 1 0 1 0 31 101.78352890448086 30674.268359375 11.571117529482429 5 0.5 8.340301484816685 5.0 1.0 1 0 1 0
32 101.783882843 34914.7922363 13.4241963862 4 0.4 11.5339168261 5.0 0.75 1 0 1 0 32 101.78388284339842 34914.792236328125 13.424212556234606 4 0.4 11.533916826142281 5.0 0.75 1 0 1 0
33 101.784256482 34750.4316406 13.1998509703 5 0.5 19.7691709659 5.0 1.0 1 0 1 0 33 101.7842564817644 34750.431640625 13.200328061209117 5 0.5 19.769170965943378 5.0 1.0 1 0 1 0
34 101.784575479 33606.9160156 12.3984780849 2 0.2 17.1244057255 2.0 1.0 1 0 1 0 34 101.78457547912656 33606.916015625 12.398478084926893 2 0.2 17.124405725468453 2.0 1.0 1 0 1 0
35 101.784944438 31853.2285156 12.5381211926 1 0.1 nan 1.0 1.0 1 0 0 0 35 101.78494443848864 31853.228515625 12.538635104141274 1 0.1 nan 1.0 1.0 1 0 0 0
36 101.785294854 32349.4127604 11.8645707533 3 0.3 19.7756597273 3.0 1.0 1 0 1 0 36 101.78529485375687 32349.412760416668 11.864820059123332 3 0.3 19.775659727331934 3.0 1.0 1 0 1 0
37 101.785938106 38965.921875 14.0229310752 1 0.1 nan 1.0 1.0 1 0 0 0 37 101.78593810560125 38965.921875 14.022931075247023 1 0.1 nan 1.0 1.0 1 0 0 0
38 101.786358458 38956.2128906 14.5059944075 2 0.2 9.79223430539 2.0 1.0 1 0 1 0 38 101.78635845838456 38956.212890625 14.506432073679676 2 0.2 9.792234305391624 2.0 1.0 1 0 1 0
39 101.786682169 35778.9570312 13.8565520465 1 0.1 nan 1.0 1.0 1 0 0 0 39 101.786682169094 35778.95703125 13.856625415602487 1 0.1 nan 1.0 1.0 1 0 0 0
40 101.786964939 35688.1438802 13.2046161482 3 0.3 19.4507056324 3.0 1.0 1 0 1 0 40 101.78696493949288 35688.143880208336 13.204807802295464 3 0.3 19.450705632405903 3.0 1.0 1 0 1 0
41 101.787406079 31191.765625 11.676092086 4 0.4 11.8155889192 4.0 1.0 1 0 1 0 41 101.78740607920537 31191.765625 11.676107865740953 4 0.4 11.815588919248292 4.0 1.0 1 0 1 0
42 101.787705541 33206.3476562 11.7505466282 1 0.1 nan 1.0 1.0 1 0 0 0 42 101.78770554080668 33206.34765625 11.750778089517553 1 0.1 nan 1.0 1.0 1 0 0 0
43 101.788100749 29326.3574219 10.4722444994 1 0.1 nan 1.0 1.0 1 0 0 0 43 101.78810074897861 29326.357421875 10.472244499382018 1 0.1 nan 1.0 1.0 1 0 0 0
44 101.788418605 28416.1757812 10.1472247725 1 0.1 nan 1.0 1.0 1 0 0 0 44 101.78841860540503 28416.17578125 10.147224772507794 1 0.1 nan 1.0 1.0 1 0 0 0
45 101.78905991 29285.2545573 11.3091367828 3 0.3 10.6995390912 3.0 1.0 1 0 1 0 45 101.78905991032029 29285.254557291668 11.309159271700736 3 0.3 10.699539091166555 3.0 1.0 1 0 1 0
46 101.789686482 37412.0429688 13.4637261148 1 0.1 nan 1.0 1.0 1 0 0 0 46 101.78968648202031 37412.04296875 13.463726114781192 1 0.1 nan 1.0 1.0 1 0 0 0
47 101.791298447 34742.8476562 13.4552853615 1 0.1 nan 1.0 1.0 1 0 0 0 47 101.79129844683261 34742.84765625 13.45535660593793 1 0.1 nan 1.0 1.0 1 0 0 0
48 101.791607824 29195.8457031 10.5069073764 1 0.1 nan 1.0 1.0 1 0 0 0 48 101.79160782423904 29195.845703125 10.506907376446327 1 0.1 nan 1.0 1.0 1 0 0 0
49 101.792256332 36285.1484375 13.0581829227 1 0.1 nan 1.0 1.0 1 0 0 0 49 101.7922563322743 36285.1484375 13.05818292266875 1 0.1 nan 1.0 1.0 1 0 0 0
50 101.792940385 27393.984375 11.0164197099 1 0.1 nan 1.0 1.0 1 0 0 0 50 101.79294038498018 27393.984375 11.016419709935477 1 0.1 nan 1.0 1.0 1 0 0 0
51 101.79346014 28069.421875 10.9611097828 1 0.1 nan 1.0 1.0 1 0 0 0 51 101.7934601397213 28069.421875 10.961109782750043 1 0.1 nan 1.0 1.0 1 0 0 0
52 103.038946988 35461.047092 13.5503996593 9 0.9 6.66940434852 9.0 1.0 1 1 1 1 52 103.03894698764555 35461.04709201389 13.550659186521731 9 0.9 6.669404348523736 9.0 1.0 1 1 1 1
53 104.106972792 32719.71875 11.578345948 1 0.1 nan 1.0 1.0 1 0 0 0 53 104.10697279167469 32719.71875 11.578574017317756 1 0.1 nan 1.0 1.0 1 0 0 0
54 112.052302518 99066.0578125 37.4212991388 10 1.0 18.341407016 10.0 1.0 1 1 1 1 54 112.05230251787557 99066.0578125 37.42187713539174 10 1.0 18.341407016037145 10.0 1.0 1 1 1 1
55 113.020916946 31238.1226563 11.9564700224 5 0.5 15.3884728056 5.0 1.0 1 0 1 0 55 113.02091694559672 31238.12265625 11.956842718242182 5 0.5 15.388472805622802 5.0 1.0 1 0 1 0
56 114.066190866 59329.4984375 22.5296136854 10 1.0 7.55670866511 10.0 1.0 1 1 1 1 56 114.06619086571592 59329.4984375 22.530000919208053 10 1.0 7.5567086651050515 10.0 1.0 1 1 1 1
57 115.036563181 30129.7592773 11.2642351201 4 0.4 15.9470779237 4.0 1.0 1 0 1 0 57 115.0365631808818 30129.75927734375 11.264347122644175 4 0.4 15.947077923705308 4.0 1.0 1 0 1 0
58 116.07060497 32177.6479492 12.2570548549 8 0.8 9.9090101818 8.0 1.0 1 1 1 1 58 116.07060496951325 32177.64794921875 12.257237595301714 8 0.8 9.909010181801747 8.0 1.0 1 1 1 1
59 118.086258315 265445.934375 100.28622518 10 1.0 11.2351158612 10.0 1.0 1 1 1 1 59 118.08625831515819 265445.934375 100.28779150242887 10 1.0 11.235115861218771 10.0 1.0 1 1 1 1
60 118.086644671 29010.484375 10.5228152066 1 0.1 nan 1.0 1.0 1 0 0 0 60 118.0866446710702 29010.484375 10.522815206625037 1 0.1 nan 1.0 1.0 1 0 0 0
61 123.013854821 61110.4 23.1626018641 10 1.0 11.0061303761 10.0 1.0 1 1 1 1 61 123.01385482128576 61110.4 23.162943868230798 10 1.0 11.006130376078184 10.0 1.0 1 1 1 1
62 123.055298151 32770.494873 12.440123219 8 0.8 13.0454614078 8.0 1.0 1 1 1 1 62 123.05529815062137 32770.494873046875 12.440344518982593 8 0.8 13.04546140784748 8.0 1.0 1 1 1 1
63 128.010841202 46005.8816406 17.5186813255 10 1.0 15.1369669796 10.0 1.0 1 1 1 1 63 128.0108412021919 46005.881640625 17.51899280300055 10 1.0 15.136966979589856 10.0 1.0 1 1 1 1
64 128.994866355 69108.7714844 26.24532566 10 1.0 10.3693689638 10.0 1.0 1 1 1 1 64 128.9948663550569 69108.771484375 26.245765212437078 10 1.0 10.36936896380279 10.0 1.0 1 1 1 1
65 130.049215241 50969.1054688 19.4340806546 10 1.0 21.3457288598 10.0 1.0 1 1 0 0 65 130.04921524119345 50969.10546875 19.434419458716928 10 1.0 21.345728859835337 10.0 1.0 1 1 0 0
66 130.049880977 206913.4375 78.6919732786 10 1.0 14.0843335105 10.0 1.0 1 1 1 1 66 130.04988097695534 206913.4375 78.69320015682584 10 1.0 14.08433351046979 10.0 1.0 1 1 1 1
67 130.086253663 27533.9047852 10.7893405136 4 0.4 7.35823727912 4.0 1.0 1 0 1 0 67 130.08625366270354 27533.90478515625 10.789718670812857 4 0.4 7.358237279122311 4.0 1.0 1 0 1 0
68 131.009844575 43909.8675781 16.7471403414 10 1.0 14.7502187398 10.0 1.0 1 1 1 1 68 131.0098445754489 43909.867578125 16.747448877999712 10 1.0 14.750218739835502 10.0 1.0 1 1 1 1
69 131.010518639 144622.954687 54.8481542878 10 1.0 9.18964994752 10.0 1.0 1 1 1 1 69 131.01051863929226 144622.9546875 54.84908252296957 10 1.0 9.18964994751511 10.0 1.0 1 1 1 1
70 131.018945407 59595.2875 22.5483100895 10 1.0 18.8001085036 10.0 1.0 1 1 1 1 70 131.01894540652134 59595.2875 22.54865695676907 10 1.0 18.800108503636075 10.0 1.0 1 1 1 1
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73 132.075012694 88095.5492188 33.4304000914 10 1.0 8.70066982197 10.0 1.0 1 1 1 1 73 132.0750126937731 88095.54921875 33.43096532267512 10 1.0 8.700669821965167 10.0 1.0 1 1 1 1
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75 132.076109771 2072326.0 785.785720923 10 1.0 5.28093683213 10.0 1.0 1 1 1 1 75 132.07610977072258 2072326.0 785.7988175967778 10 1.0 5.28093683212572 10.0 1.0 1 1 1 1
76 132.076665584 21277689.6 8070.19087945 10 1.0 4.94151013657 10.0 1.0 1 1 1 1 76 132.0766655844216 21277689.6 8070.324854870587 10 1.0 4.9415101365709715 10.0 1.0 1 1 1 1
77 132.077191105 2412628.875 914.90487903 10 1.0 5.06231513783 10.0 1.0 1 1 1 1 77 132.07719110484481 2412628.875 914.9199636626512 10 1.0 5.062315137831584 10.0 1.0 1 1 1 1
78 132.078017689 49354.124442 18.5992857395 7 0.7 4.69295690096 7.0 1.0 1 0 1 0 78 132.07801768947164 49354.12444196428 18.599300266210395 7 0.7 4.692956900957127 7.0 1.0 1 0 1 0
79 132.078381022 31241.6692383 11.8450680311 10 1.0 4.10854134964 19.0 0.1 1 1 1 1 79 132.07838102233694 31241.66923828125 11.84527081530562 10 1.0 4.108541349635639 19.0 0.09999999999999998 1 1 1 1
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92 134.080995842 64760.9363281 24.5423456769 10 1.0 8.38696719867 10.0 1.0 1 1 1 1 92 134.0809958415441 64760.936328125 24.542749668990325 10 1.0 8.386967198672181 10.0 1.0 1 1 1 1
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94 136.046908959 28337.0 10.1978287375 1 0.1 nan 1.0 1.0 1 0 0 0 94 136.04690895884593 28337.0 10.197828737479982 1 0.1 nan 1.0 1.0 1 0 0 0
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