comparison test-data/batch04_QC17_rep02_263.txt @ 1:2cf12cd2c53a draft

"planemo upload for repository https://github.com/computational-metabolomics/dimspy-galaxy commit 680116d0cf6a6d7246cba655452dea43269aeba4"
author computational-metabolomics
date Tue, 28 Apr 2020 17:27:23 -0400
parents 91441e41cc3d
children
comparison
equal deleted inserted replaced
0:91441e41cc3d 1:2cf12cd2c53a
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 98.9955019004 84451.2265625 31.7440778089 10 1.0 7.77367705111 10.0 1.0 1 1 1 2 98.99550190035714 84451.2265625 31.745124596724718 10 1.0 7.773677051107089 10.0 1.0 1 1 1
3 101.761245271 32550.375 11.7929465044 1 0.1 nan 1.0 1.0 1 0 0 3 101.76124527076014 32550.375 11.793510852088433 1 0.1 nan 1.0 1.0 1 0 0
4 101.762109411 35030.5703125 12.6915171243 1 0.1 nan 1.0 1.0 1 0 0 4 101.76210941054411 35030.5703125 12.692124472769226 1 0.1 nan 1.0 1.0 1 0 0
5 101.76262088 35174.5234375 13.418830959 1 0.1 nan 1.0 1.0 1 0 0 5 101.76262088039485 35174.5234375 13.418830958968464 1 0.1 nan 1.0 1.0 1 0 0
6 101.763132954 26464.4316406 10.0959927785 1 0.1 nan 1.0 1.0 1 0 0 6 101.7631329543385 26464.431640625 10.095992778458616 1 0.1 nan 1.0 1.0 1 0 0
7 101.763354418 28354.5146484 10.7086199539 2 0.2 4.57943273784 2.0 1.0 1 0 0 7 101.76335441796067 28354.5146484375 10.708641631137553 2 0.2 4.579432737843868 2.0 1.0 1 0 0
8 101.764453602 30835.7578125 11.6280785711 2 0.2 13.9128862206 2.0 1.0 1 0 0 8 101.76445360199448 30835.7578125 11.628078571106299 2 0.2 13.912886220585818 2.0 1.0 1 0 0
9 101.7651537 27039.2695312 10.1936221136 1 0.1 nan 1.0 1.0 1 0 0 9 101.76515370040089 27039.26953125 10.193683097909028 1 0.1 nan 1.0 1.0 1 0 0
10 101.771710654 31634.0732422 11.6823623565 2 0.2 19.4181918985 2.0 1.0 1 0 0 10 101.7717106535302 31634.0732421875 11.682674240922717 2 0.2 19.418191898516454 2.0 1.0 1 0 0
11 101.772204612 29348.18125 11.0363579242 5 0.5 8.49275304413 5.0 1.0 1 1 1 11 101.77220461239764 29348.18125 11.03693702815019 5 0.5 8.492753044128463 5.0 1.0 1 1 1
12 101.772782957 29805.6152344 11.2285206144 2 0.2 3.11583437987 2.0 1.0 1 0 0 12 101.77278295720382 29805.615234375 11.228520614425856 2 0.2 3.1158343798719836 2.0 1.0 1 0 0
13 101.773211058 32438.3046875 11.7756102024 2 0.2 18.9035505882 2.0 1.0 1 0 0 13 101.77321105844928 32438.3046875 11.775928992585122 2 0.2 18.903550588174195 2.0 1.0 1 0 0
14 101.774160788 33584.6757812 12.6305511407 4 0.4 28.6332913038 4.0 1.0 1 0 0 14 101.77416078794501 33584.67578125 12.630679378088352 4 0.4 28.633291303768132 4.0 1.0 1 0 0
15 101.774601733 31854.6848958 11.9396540804 3 0.3 11.3977479521 3.0 1.0 1 0 0 15 101.774601733397 31854.684895833332 11.939862402823252 3 0.3 11.397747952063856 3.0 1.0 1 0 0
16 101.774886361 27928.8457031 10.5289863263 1 0.1 nan 1.0 1.0 1 0 0 16 101.77488636082263 27928.845703125 10.529049316921144 1 0.1 nan 1.0 1.0 1 0 0
17 101.77534776 28452.9785156 10.7701086914 1 0.1 nan 1.0 1.0 1 0 0 17 101.77534776015791 28452.978515625 10.770108691383102 1 0.1 nan 1.0 1.0 1 0 0
18 101.775569642 44103.8515625 16.3666890296 1 0.1 nan 1.0 1.0 1 0 0 18 101.77556964162368 44103.8515625 16.366758721886267 1 0.1 nan 1.0 1.0 1 0 0
19 101.776203278 29334.0644531 11.2642139913 2 0.2 4.51023573503 2.0 1.0 1 0 0 19 101.77620327849736 29334.064453125 11.265832122414206 2 0.2 4.510235735031875 2.0 1.0 1 0 0
20 101.776462277 28595.7910156 10.8241665169 1 0.1 nan 1.0 1.0 1 0 0 20 101.77646227731158 28595.791015625 10.824166516880826 1 0.1 nan 1.0 1.0 1 0 0
21 101.776797216 27960.3776042 10.591041447 3 0.3 3.49564290589 3.0 1.0 1 0 0 21 101.77679721562224 27960.377604166668 10.59105588087378 3 0.3 3.495642905887946 3.0 1.0 1 0 0
22 101.777401466 27360.0703125 10.3145618429 1 0.1 nan 1.0 1.0 1 0 0 22 101.77740146620876 27360.0703125 10.31462355075095 1 0.1 nan 1.0 1.0 1 0 0
23 101.777789955 33314.375 12.6454242076 2 0.2 9.04850068751 2.0 1.0 1 0 0 23 101.77778995545883 33314.375 12.64735421578688 2 0.2 9.04850068751262 2.0 1.0 1 0 0
24 101.778108289 31527.1692708 11.700624089 3 0.3 10.4051336347 3.0 1.0 1 0 0 24 101.77810828946792 31527.169270833332 11.70062408896077 3 0.3 10.40513363474119 3.0 1.0 1 0 0
25 101.778498576 31337.5234375 11.7630284794 2 0.2 9.7160562875 3.0 0.5 1 0 0 25 101.77849857588902 31337.5234375 11.763028479370398 2 0.2 9.716056287496059 3.0 0.5 1 0 0
26 101.778821835 28602.9160156 10.6143798145 1 0.1 nan 1.0 1.0 1 0 0 26 101.77882183498357 28602.916015625 10.614425012443853 1 0.1 nan 1.0 1.0 1 0 0
27 101.779113798 27481.7773438 10.4841029412 1 0.1 nan 1.0 1.0 1 0 0 27 101.77911379784318 27481.77734375 10.484102941239476 1 0.1 nan 1.0 1.0 1 0 0
28 101.779616687 31644.8125 11.9672764207 2 0.2 9.08421199185 2.0 1.0 1 0 0 28 101.77961668688974 31644.8125 11.96727642065158 2 0.2 9.084211991854591 2.0 1.0 1 0 0
29 101.78012274 31657.746582 11.6955277262 4 0.4 12.3275680339 4.0 1.0 1 0 0 29 101.78012273953541 31657.74658203125 11.695667675667277 4 0.4 12.327568033948282 4.0 1.0 1 0 0
30 101.78036894 35063.9345703 13.3989264485 2 0.2 14.9162035085 2.0 1.0 1 0 0 30 101.78036893992821 35063.9345703125 13.398961819490511 2 0.2 14.916203508507545 2.0 1.0 1 0 0
31 101.780603216 39432.7519531 14.4487910205 2 0.2 18.0989507839 2.0 1.0 1 0 0 31 101.78060321560545 39432.751953125 14.44917660430133 2 0.2 18.09895078388516 2.0 1.0 1 0 0
32 101.780950357 30655.5917969 11.7665710618 1 0.1 nan 1.0 1.0 1 0 0 32 101.78095035664649 30655.591796875 11.766571061848824 1 0.1 nan 1.0 1.0 1 0 0
33 101.781223124 32459.6645508 12.2859713321 4 0.4 13.7445471032 4.0 1.0 1 0 0 33 101.7812231240828 32459.66455078125 12.285987538814833 4 0.4 13.744547103150415 4.0 1.0 1 0 0
34 101.78145739 39429.2753906 14.6538488163 5 0.5 18.9477858001 5.0 1.0 1 1 1 34 101.78145738976782 39429.275390625 14.654047103250486 5 0.5 18.947785800060885 5.0 1.0 1 1 1
35 101.781813314 42852.5403646 16.0113159229 6 0.6 22.2676926764 6.0 1.0 1 1 1 35 101.78181331373332 42852.540364583336 16.01202859686904 6 0.6 22.267692676435495 6.0 1.0 1 1 1
36 101.782168131 39139.2646484 14.8314227801 4 0.4 21.7636584822 4.0 1.0 1 0 0 36 101.7821681310298 39139.2646484375 14.832323340730177 4 0.4 21.763658482154582 4.0 1.0 1 0 0
37 101.782467224 37896.9567057 14.3413984371 6 0.6 19.7000657986 6.0 1.0 1 1 1 37 101.78246722417452 37896.956705729164 14.342086167393845 6 0.6 19.700065798577633 6.0 1.0 1 1 1
38 101.782725561 42090.5410156 15.562375607 2 0.2 29.1779842887 2.0 1.0 1 0 0 38 101.78272556102694 42090.541015625 15.562375606959334 2 0.2 29.177984288721692 2.0 1.0 1 0 0
39 101.782955956 32858.3325195 12.3017226935 4 0.4 19.8198479159 4.0 1.0 1 0 0 39 101.78295595607827 32858.33251953125 12.302694727985713 4 0.4 19.819847915877595 4.0 1.0 1 0 0
40 101.783291974 31514.2480469 12.0264628523 2 0.2 0.567130026237 2.0 1.0 1 0 0 40 101.78329197424239 31514.248046875 12.026498533389761 2 0.2 0.5671300262369761 2.0 1.0 1 0 0
41 101.783843492 40019.9663086 15.2751560113 4 0.4 39.5606314199 4.0 1.0 1 0 0 41 101.78384349173771 40019.96630859375 15.275946278517843 4 0.4 39.56063141994186 4.0 1.0 1 0 0
42 101.784269638 32181.0286458 12.020740205 3 0.3 14.1201888078 3.0 1.0 1 0 0 42 101.7842696382706 32181.028645833332 12.022118253466024 3 0.3 14.120188807799977 3.0 1.0 1 0 0
43 101.78457014 33495.125 12.627436052 1 0.1 nan 1.0 1.0 1 0 0 43 101.7845701398481 33495.125 12.627511596799625 1 0.1 nan 1.0 1.0 1 0 0
44 101.784935333 29937.0722656 11.2726505855 5 0.5 15.8922733176 5.0 1.0 1 1 1 44 101.78493533332102 29937.072265625 11.273233128254267 5 0.5 15.892273317638963 5.0 1.0 1 1 1
45 101.785253204 29677.3105469 11.013081528 1 0.1 nan 1.0 1.0 1 0 0 45 101.7852532036704 29677.310546875 11.013128423645115 1 0.1 nan 1.0 1.0 1 0 0
46 101.785870948 29142.7080078 11.1560273863 2 0.2 5.04318288896 2.0 1.0 1 0 0 46 101.78587094764043 29142.7080078125 11.157640832701503 2 0.2 5.043182888955647 2.0 1.0 1 0 0
47 101.786439724 31269.7294922 11.6942397129 2 0.2 3.07955196643 2.0 1.0 1 0 0 47 101.78643972413528 31269.7294921875 11.69429945184717 2 0.2 3.0795519664286677 2.0 1.0 1 0 0
48 101.787378671 27573.0634766 10.5227174727 2 0.2 0.248128846262 2.0 1.0 1 0 0 48 101.78737867105397 27573.0634765625 10.522748621394944 2 0.2 0.24812884626240275 2.0 1.0 1 0 0
49 101.788201622 27024.7001953 10.2294724011 1 0.1 nan 2.0 0.0 1 0 0 49 101.78820162182339 27024.7001953125 10.229472401130948 1 0.1 nan 2.0 0.0 1 0 0
50 101.78857405 26586.7402344 10.2700249585 1 0.1 nan 1.0 1.0 1 0 0 50 101.78857404966809 26586.740234375 10.27002495849289 1 0.1 nan 1.0 1.0 1 0 0
51 101.790917832 28723.8779297 10.8832981272 2 0.2 2.31937603418 2.0 1.0 1 0 0 51 101.79091783186985 28723.8779296875 10.88329812717473 2 0.2 2.3193760341783354 2.0 1.0 1 0 0
52 101.7919515 30445.0292969 11.5241458626 1 0.1 nan 1.0 1.0 1 0 0 52 101.79195150002529 30445.029296875 11.524145862607032 1 0.1 nan 1.0 1.0 1 0 0
53 103.038944067 35208.5872396 13.2431316327 3 0.3 10.2019852039 3.0 1.0 1 0 0 53 103.03894406700924 35208.587239583336 13.243329813519194 3 0.3 10.201985203880248 3.0 1.0 1 0 0
54 104.106977796 31143.5230035 11.7164106858 9 0.9 12.3991598947 9.0 1.0 1 1 1 54 104.10697779621013 31143.523003472223 11.716911528962058 9 0.9 12.399159894725136 9.0 1.0 1 1 1
55 112.052301717 153719.28125 57.7564689829 10 1.0 6.67470171676 10.0 1.0 1 1 1 55 112.0523017172305 153719.28125 57.75827231911721 10 1.0 6.674701716756183 10.0 1.0 1 1 1
56 113.020908516 28645.1083984 11.0004142593 2 0.2 8.0214985807 2.0 1.0 1 0 0 56 113.02090851574674 28645.1083984375 11.000414259253638 2 0.2 8.021498580699614 2.0 1.0 1 0 0
57 114.066180002 66439.5613281 24.9706853163 10 1.0 7.86790569849 10.0 1.0 1 1 1 57 114.06618000163955 66439.561328125 24.971560735574133 10 1.0 7.867905698493746 10.0 1.0 1 1 1
58 115.036558808 35491.1291016 13.3299448805 10 1.0 11.9701202132 10.0 1.0 1 1 1 58 115.03655880813392 35491.1291015625 13.330416810271743 10 1.0 11.970120213203456 10.0 1.0 1 1 1
59 116.07060242 29972.5449219 11.2210950802 5 0.5 6.72227972428 5.0 1.0 1 1 1 59 116.0706024197829 29972.544921875 11.221217069516284 5 0.5 6.7222797242799155 5.0 1.0 1 1 1
60 118.085687934 28924.7222656 10.8551646426 5 0.5 4.78631928298 5.0 1.0 1 1 1 60 118.08568793429909 28924.722265625 10.855777115357833 5 0.5 4.7863192829753 5.0 1.0 1 1 1
61 118.086252154 334143.975 125.486520294 10 1.0 5.20664687123 10.0 1.0 1 1 1 61 118.08625215374215 334143.975 125.49068799099093 10 1.0 5.206646871228616 10.0 1.0 1 1 1
62 118.086653858 27912.5683594 10.3762819709 1 0.1 nan 1.0 1.0 1 0 0 62 118.08665385777094 27912.568359375 10.376281970880308 1 0.1 nan 1.0 1.0 1 0 0
63 123.013841605 31632.4296875 11.8556645005 9 0.9 8.91490804416 9.0 1.0 1 1 1 63 123.01384160516187 31632.4296875 11.855738416827137 9 0.9 8.914908044157036 9.0 1.0 1 1 1
64 123.055287124 32552.2897135 12.1910756489 9 0.9 10.4554202922 9.0 1.0 1 1 1 64 123.05528712381079 32552.289713541668 12.191576822443235 9 0.9 10.455420292181275 9.0 1.0 1 1 1
65 126.021930562 30321.7949219 11.5675494837 1 0.1 nan 1.0 1.0 1 0 0 65 126.02193056215513 30321.794921875 11.567549483708595 1 0.1 nan 1.0 1.0 1 0 0
66 128.010845095 48139.7953125 18.0868754199 10 1.0 15.0901614638 10.0 1.0 1 1 1 66 128.01084509521257 48139.7953125 18.08741865443755 10 1.0 15.090161463846039 10.0 1.0 1 1 1
67 128.994858964 45973.4792969 17.2568922967 10 1.0 14.6812413554 10.0 1.0 1 1 1 67 128.9948589637999 45973.479296875 17.257531229623215 10 1.0 14.68124135542735 10.0 1.0 1 1 1
68 130.049198924 27880.6601562 10.7698451612 1 0.1 nan 1.0 1.0 1 0 0 68 130.04919892414784 27880.66015625 10.769845161150382 1 0.1 nan 1.0 1.0 1 0 0
69 130.049880906 119751.939062 45.0053779531 10 1.0 13.5955775973 10.0 1.0 1 1 1 69 130.04988090593181 119751.9390625 45.006950602157595 10 1.0 13.595577597255703 10.0 1.0 1 1 1
70 131.009835312 32898.309375 12.3675147079 10 1.0 9.2134570132 10.0 1.0 1 1 1 70 131.00983531206623 32898.309375 12.367894210431517 10 1.0 9.21345701320134 10.0 1.0 1 1 1
71 131.010514714 137421.994531 51.6972877465 10 1.0 9.48388846128 10.0 1.0 1 1 1 71 131.01051471350252 137421.99453125 51.69918525895203 10 1.0 9.483888461281685 10.0 1.0 1 1 1
72 131.018939825 48886.0308594 18.3871615113 10 1.0 15.6143661875 10.0 1.0 1 1 1 72 131.01893982519374 48886.030859375 18.38790736338366 10 1.0 15.614366187520837 10.0 1.0 1 1 1
73 132.074582968 29099.0058594 10.8655604381 3 0.3 4.73245654073 3.0 1.0 1 0 0 73 132.07458296773993 29099.005859375 10.865734907984859 3 0.3 4.732456540733815 3.0 1.0 1 0 0
74 132.075000576 61245.1585937 23.0062885715 10 1.0 6.6190994797 10.0 1.0 1 1 1 74 132.07500057602658 61245.15859375 23.007046161072086 10 1.0 6.619099479702557 10.0 1.0 1 1 1
75 132.075552632 329270.725 123.677631198 10 1.0 4.13999125262 10.0 1.0 1 1 1 75 132.07555263158318 329270.725 123.68187253345802 10 1.0 4.139991252617942 10.0 1.0 1 1 1
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77 132.076678619 15995033.0 6010.26097502 10 1.0 1.86046166012 10.0 1.0 1 1 1 77 132.07667861862836 15995033.0 6010.468575802644 10 1.0 1.8604616601193262 10.0 1.0 1 1 1
78 132.077213366 1798429.0375 675.742468126 10 1.0 2.11623486529 10.0 1.0 1 1 1 78 132.07721336556713 1798429.0375 675.7656218333025 10 1.0 2.1162348652923555 10.0 1.0 1 1 1
79 132.078042697 38095.5888672 14.3236398431 9 0.9 13.7215663493 11.0 0.777777777778 1 1 1 79 132.0780426970626 38095.5888671875 14.324096494412323 9 0.9 13.72156634933921 11.0 0.7777777777777778 1 1 1
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88 133.080636079 36245.6044922 13.6794717511 8 0.8 8.87599158956 8.0 1.0 1 1 1 88 133.08063607924942 36245.6044921875 13.68008609246013 8 0.8 8.875991589558218 8.0 1.0 1 1 1
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91 134.996482207 35648.171875 12.915273139 1 0.1 nan 1.0 1.0 1 0 0 91 134.99648220724842 35648.171875 12.915891195260459 1 0.1 nan 1.0 1.0 1 0 0
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93 136.046911726 32737.8367188 12.3155990979 10 1.0 7.26785250343 10.0 1.0 1 1 1 93 136.04691172602116 32737.83671875 12.316043095775056 10 1.0 7.267852503433375 10.0 1.0 1 1 1
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95 136.048146965 528813.003125 198.730814907 10 1.0 4.64213258647 10.0 1.0 1 1 1 95 136.04814696510724 528813.003125 198.73737118733374 10 1.0 4.642132586466761 10.0 1.0 1 1 1
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