comparison test-data/batch04_QC17_rep01_262.txt @ 1:0cdf340364ed draft

"planemo upload for repository https://github.com/computational-metabolomics/dimspy-galaxy commit 680116d0cf6a6d7246cba655452dea43269aeba4"
author computational-metabolomics
date Tue, 28 Apr 2020 17:43:04 -0400
parents cb2acfaec200
children
comparison
equal deleted inserted replaced
0:cb2acfaec200 1:0cdf340364ed
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 97.0050038629 24371.8476562 10.2138983463 1 0.1 nan 1.0 1.0 1 0 0 2 97.00500386290739 24371.84765625 10.213898346288573 1 0.1 nan 1.0 1.0 1 0 0
3 98.9955018467 82339.6554688 34.2217993561 10 1.0 6.92819640371 10.0 1.0 1 1 1 3 98.99550184665189 82339.65546875 34.22403960597927 10 1.0 6.928196403714851 10.0 1.0 1 1 1
4 101.752289053 26659.7988281 11.3852899456 1 0.1 nan 1.0 1.0 1 0 0 4 101.75228905305326 26659.798828125 11.385289945622 1 0.1 nan 1.0 1.0 1 0 0
5 101.753170732 27749.7890625 11.6295460489 1 0.1 nan 1.0 1.0 1 0 0 5 101.75317073167301 27749.7890625 11.62954604890782 1 0.1 nan 1.0 1.0 1 0 0
6 101.760001089 27966.8964844 12.0169301401 1 0.1 nan 1.0 1.0 1 0 0 6 101.76000108895448 27966.896484375 12.018095062340132 1 0.1 nan 1.0 1.0 1 0 0
7 101.760785449 27373.5214844 10.900619804 1 0.1 nan 1.0 1.0 1 0 0 7 101.76078544905327 27373.521484375 10.900619804017799 1 0.1 nan 1.0 1.0 1 0 0
8 101.761942982 31181.6132812 13.3163686068 1 0.1 nan 1.0 1.0 1 0 0 8 101.76194298248556 31181.61328125 13.316368606831578 1 0.1 nan 1.0 1.0 1 0 0
9 101.762415519 29687.0507812 11.8219080382 1 0.1 nan 1.0 1.0 1 0 0 9 101.7624155187057 29687.05078125 11.821908038163564 1 0.1 nan 1.0 1.0 1 0 0
10 101.762823343 33850.9179688 14.186443307 1 0.1 nan 1.0 1.0 1 0 0 10 101.76282334264731 33850.91796875 14.18644330696448 1 0.1 nan 1.0 1.0 1 0 0
11 101.763862658 24648.4902344 10.1551295314 1 0.1 nan 1.0 1.0 1 0 0 11 101.76386265773047 24648.490234375 10.160277225227786 1 0.1 nan 1.0 1.0 1 0 0
12 101.769632024 30046.4433594 12.9104783225 1 0.1 nan 1.0 1.0 1 0 0 12 101.76963202368513 30046.443359375 12.911729865340364 1 0.1 nan 1.0 1.0 1 0 0
13 101.770656275 29317.1523438 12.0786091445 1 0.1 nan 1.0 1.0 1 0 0 13 101.77065627514105 29317.15234375 12.084731861236834 1 0.1 nan 1.0 1.0 1 0 0
14 101.771230198 26653.9208984 11.1798351166 2 0.2 12.3745639478 2.0 1.0 1 0 0 14 101.77123019781453 26653.9208984375 11.17983511661892 2 0.2 12.374563947841773 2.0 1.0 1 0 0
15 101.771924703 28194.547526 11.6732716145 3 0.3 12.9357310009 3.0 1.0 1 0 0 15 101.77192470299032 28194.547526041668 11.673721202431357 3 0.3 12.935731000896125 3.0 1.0 1 0 0
16 101.77247223 34544.1826172 14.3379527656 2 0.2 12.9547876966 2.0 1.0 1 0 0 16 101.77247222965087 34544.1826171875 14.337952765603328 2 0.2 12.954787696619583 2.0 1.0 1 0 0
17 101.773679514 25715.6894531 10.5357634836 1 0.1 nan 1.0 1.0 1 0 0 17 101.77367951377553 25715.689453125 10.535763483649339 1 0.1 nan 1.0 1.0 1 0 0
18 101.773953634 30085.4492188 12.417921349 1 0.1 nan 1.0 1.0 1 0 0 18 101.7739536336187 30085.44921875 12.417921348999618 1 0.1 nan 1.0 1.0 1 0 0
19 101.774167342 26579.9921875 11.0441488074 2 0.2 5.16123631347 2.0 1.0 1 0 0 19 101.77416734192767 26579.9921875 11.044148807442102 2 0.2 5.16123631346911 2.0 1.0 1 0 0
20 101.774444231 29461.8509115 12.0906833959 3 0.3 20.528388653 3.0 1.0 1 0 0 20 101.77444423078076 29461.850911458332 12.093218869508652 3 0.3 20.528388653009063 3.0 1.0 1 0 0
21 101.774765704 27428.7265625 11.5314577636 1 0.1 nan 1.0 1.0 1 0 0 21 101.77476570366255 27428.7265625 11.53145776355044 1 0.1 nan 1.0 1.0 1 0 0
22 101.775561023 24917.1816406 10.4206324468 2 0.2 2.75965479961 2.0 1.0 1 0 0 22 101.7755610226972 24917.181640625 10.42063244676082 2 0.2 2.7596547996120058 2.0 1.0 1 0 0
23 101.776071685 29167.1809896 12.3954657742 3 0.3 23.4812227967 3.0 1.0 1 0 0 23 101.77607168450241 29167.180989583332 12.395804185129222 3 0.3 23.48122279670964 3.0 1.0 1 0 0
24 101.776393302 28083.9746094 11.6515532862 2 0.2 4.85365856211 2.0 1.0 1 0 0 24 101.77639330177301 28083.974609375 11.651553286179801 2 0.2 4.853658562113072 2.0 1.0 1 0 0
25 101.776905074 26652.5761719 11.3388946781 2 0.2 11.7068108415 2.0 1.0 1 0 0 25 101.77690507443042 26652.576171875 11.339495716095964 2 0.2 11.70681084154006 2.0 1.0 1 0 0
26 101.777138532 32581.8847656 13.9143662495 1 0.1 nan 1.0 1.0 1 0 0 26 101.77713853190536 32581.884765625 13.914366249461095 1 0.1 nan 1.0 1.0 1 0 0
27 101.777438306 28769.8789062 12.0600745322 4 0.4 9.13554703544 4.0 1.0 1 0 0 27 101.77743830587724 28769.87890625 12.060338215368423 4 0.4 9.135547035441826 4.0 1.0 1 0 0
28 101.777967579 32452.6503906 13.138204625 2 0.2 21.7364211663 2.0 1.0 1 0 0 28 101.77796757908791 32452.650390625 13.138204625039084 2 0.2 21.736421166307487 2.0 1.0 1 0 0
29 101.778480696 23612.796875 10.1460428625 1 0.1 nan 1.0 1.0 1 0 0 29 101.77848069579964 23612.796875 10.147026420683657 1 0.1 nan 1.0 1.0 1 0 0
30 101.778943527 27877.5598958 11.6093674297 3 0.3 10.3704940078 3.0 1.0 1 0 0 30 101.7789435265002 27877.559895833332 11.60936742965931 3 0.3 10.370494007778346 3.0 1.0 1 0 0
31 101.779427021 34463.3793945 14.3282799491 4 0.4 38.3692135574 4.0 1.0 1 0 0 31 101.7794270214854 34463.37939453125 14.330108420600155 4 0.4 38.369213557409005 4.0 1.0 1 0 0
32 101.779717111 24811.1035156 10.3249024942 2 0.2 2.22770098363 2.0 1.0 1 0 0 32 101.77971711073697 24811.103515625 10.327534132799613 2 0.2 2.227700983632723 2.0 1.0 1 0 0
33 101.780041288 25475.5019531 10.6764243294 1 0.1 nan 1.0 1.0 1 0 0 33 101.78004128755488 25475.501953125 10.67642432941136 1 0.1 nan 1.0 1.0 1 0 0
34 101.780514162 31097.784375 12.9298184227 5 0.5 20.5747845219 5.0 1.0 1 1 1 34 101.780514162338 31097.784375 12.930166654569296 5 0.5 20.574784521900973 5.0 1.0 1 1 1
35 101.780918614 39182.8179688 16.3508209469 5 0.5 24.1922484454 5.0 1.0 1 1 1 35 101.78091861449957 39182.81796875 16.350820946923136 5 0.5 24.192248445433215 5.0 1.0 1 1 1
36 101.781243875 38214.7174479 15.8049003965 3 0.3 27.9776080666 3.0 1.0 1 0 0 36 101.78124387467369 38214.717447916664 15.804900396524596 3 0.3 27.977608066636645 3.0 1.0 1 0 0
37 101.781590623 40594.796875 16.7655466701 5 0.5 21.1439967691 5.0 1.0 1 1 1 37 101.78159062267011 40594.796875 16.76729047850085 5 0.5 21.14399676905738 5.0 1.0 1 1 1
38 101.781838147 30143.6171875 12.432025129 2 0.2 18.6464498566 2.0 1.0 1 0 0 38 101.78183814692038 30143.6171875 12.43475776862026 2 0.2 18.646449856649852 2.0 1.0 1 0 0
39 101.78211636 36808.7841797 15.285422144 2 0.2 19.4768339755 2.0 1.0 1 0 0 39 101.78211635966208 36808.7841796875 15.285422143971708 2 0.2 19.47683397554598 2.0 1.0 1 0 0
40 101.782414315 28633.0644531 11.8117476401 2 0.2 1.14505915912 2.0 1.0 1 0 0 40 101.78241431548939 28633.064453125 11.811747640092179 2 0.2 1.145059159122586 2.0 1.0 1 0 0
41 101.782808595 26783.3684896 11.1818024388 3 0.3 14.1358301998 3.0 1.0 1 0 0 41 101.78280859485733 26783.368489583332 11.183922508489971 3 0.3 14.135830199782298 3.0 1.0 1 0 0
42 101.783165523 27275.110026 11.3303049855 3 0.3 11.8234730442 3.0 1.0 1 0 0 42 101.78316552328657 27275.110026041668 11.332122598474369 3 0.3 11.823473044236584 3.0 1.0 1 0 0
43 101.783545881 29050.9228516 12.0215178355 2 0.2 17.643663892 2.0 1.0 1 0 0 43 101.78354588053243 29050.9228515625 12.021517835518196 2 0.2 17.6436638920404 2.0 1.0 1 0 0
44 101.783905444 28391.1425781 11.7629647728 4 0.4 4.40173167654 4.0 1.0 1 0 0 44 101.78390544356508 28391.142578125 11.762964772803125 4 0.4 4.401731676535958 4.0 1.0 1 0 0
45 101.784149145 27739.1435547 11.6055119348 4 0.4 8.14955221633 4.0 1.0 1 0 0 45 101.7841491450544 27739.1435546875 11.606814211529208 4 0.4 8.149552216328528 4.0 1.0 1 0 0
46 101.784431179 28911.1616211 12.0937169486 4 0.4 17.5007443038 4.0 1.0 1 0 0 46 101.78443117890701 28911.16162109375 12.093716948631602 4 0.4 17.500744303839074 4.0 1.0 1 0 0
47 101.785304249 24184.2792969 10.1148681056 2 0.2 2.25881719138 2.0 1.0 1 0 0 47 101.78530424934897 24184.279296875 10.114868105618438 2 0.2 2.2588171913780872 2.0 1.0 1 0 0
48 101.785536062 27051.5058594 10.7723874938 1 0.1 nan 1.0 1.0 1 0 0 48 101.78553606168303 27051.505859375 10.772387493787571 1 0.1 nan 1.0 1.0 1 0 0
49 101.785786443 27879.6318359 11.7992989482 2 0.2 21.8825029086 2.0 1.0 1 0 0 49 101.78578644338397 27879.6318359375 11.799298948216531 2 0.2 21.882502908582858 2.0 1.0 1 0 0
50 101.786037303 27588.7102865 11.4278860855 3 0.3 9.46993055331 3.0 1.0 1 0 0 50 101.78603730290558 27588.710286458332 11.429923073297777 3 0.3 9.469930553306865 3.0 1.0 1 0 0
51 101.786539235 25378.8046875 10.9048683017 1 0.1 nan 1.0 1.0 1 0 0 51 101.78653923501932 25378.8046875 10.905925420553668 1 0.1 nan 1.0 1.0 1 0 0
52 101.786782196 26657.3105469 11.3842273043 1 0.1 nan 1.0 1.0 1 0 0 52 101.78678219568093 26657.310546875 11.38422730431401 1 0.1 nan 1.0 1.0 1 0 0
53 101.787541177 29210.2402344 11.6320336556 1 0.1 nan 1.0 1.0 1 0 0 53 101.78754117651954 29210.240234375 11.63203365561483 1 0.1 nan 1.0 1.0 1 0 0
54 101.790843336 28339.234375 12.00360994 2 0.2 4.08210654973 2.0 1.0 1 0 0 54 101.79084333570566 28339.234375 12.00360994000899 2 0.2 4.082106549728015 2.0 1.0 1 0 0
55 103.03894845 27147.4697266 11.1582595151 2 0.2 13.9678459027 2.0 1.0 1 0 0 55 103.03894844996923 27147.4697265625 11.160814324746315 2 0.2 13.967845902735695 2.0 1.0 1 0 0
56 104.106972231 34173.5111328 14.2099765046 10 1.0 14.4163794024 10.0 1.0 1 1 1 56 104.10697223110279 34173.5111328125 14.210797434931749 10 1.0 14.416379402403761 10.0 1.0 1 1 1
57 106.950564889 29902.1210938 12.3814138639 3 0.3 12.5424275078 3.0 1.0 1 0 0 57 106.95056488923676 29902.12109375 12.381413863945 3 0.3 12.542427507823403 3.0 1.0 1 0 0
58 112.052300115 125304.373438 52.1197300602 10 1.0 9.30365524855 10.0 1.0 1 1 1 58 112.05230011502226 125304.3734375 52.12327111926719 10 1.0 9.303655248549612 10.0 1.0 1 1 1
59 113.020904501 26678.6450195 11.1681543718 4 0.4 5.02234907292 4.0 1.0 1 0 0 59 113.02090450062457 26678.64501953125 11.169856515228199 4 0.4 5.022349072915684 4.0 1.0 1 0 0
60 114.066180016 56829.090625 23.6172554834 10 1.0 14.0431921472 10.0 1.0 1 1 1 60 114.06618001577837 56829.090625 23.61869318717988 10 1.0 14.043192147150494 10.0 1.0 1 1 1
61 115.036554041 29680.1703559 12.3918110454 9 0.9 7.69499083255 9.0 1.0 1 1 1 61 115.03655404110947 29680.170355902777 12.392709588842358 9 0.9 7.69499083255303 9.0 1.0 1 1 1
62 116.070599837 25672.6352539 10.5383367199 4 0.4 0.777695113967 4.0 1.0 1 0 0 62 116.07059983692884 25672.63525390625 10.539689794581648 4 0.4 0.7776951139667494 4.0 1.0 1 0 0
63 118.086253893 254971.453125 106.024469865 10 1.0 5.22873345275 10.0 1.0 1 1 1 63 118.08625389253882 254971.453125 106.03019824093967 10 1.0 5.22873345275066 10.0 1.0 1 1 1
64 119.01893465 28773.4075521 11.9969672004 3 0.3 7.20570685785 3.0 1.0 1 0 0 64 119.01893465031257 28773.407552083332 11.996967200396355 3 0.3 7.205706857849702 3.0 1.0 1 0 0
65 123.013845643 41386.4988281 17.2406299414 10 1.0 12.8367121962 10.0 1.0 1 1 1 65 123.01384564291916 41386.498828125 17.241528115704067 10 1.0 12.836712196217064 10.0 1.0 1 1 1
66 123.055294371 26045.721875 10.919731049 5 0.5 9.16372715116 5.0 1.0 1 1 1 66 123.05529437130215 26045.721875 10.920983258722282 5 0.5 9.163727151160234 5.0 1.0 1 1 1
67 128.010843857 40573.8515625 16.8441262846 10 1.0 11.4292703595 10.0 1.0 1 1 1 67 128.01084385720364 40573.8515625 16.845121399253827 10 1.0 11.429270359466408 10.0 1.0 1 1 1
68 128.994862972 53779.0125 22.3814506061 10 1.0 12.5274223404 10.0 1.0 1 1 1 68 128.9948629722957 53779.0125 22.38271091930887 10 1.0 12.527422340438186 10.0 1.0 1 1 1
69 130.049875032 103106.672656 42.8747946453 10 1.0 12.5936570988 10.0 1.0 1 1 1 69 130.04987503246906 103106.67265625 42.87735627360844 10 1.0 12.593657098843487 10.0 1.0 1 1 1
70 131.00983153 32724.4669922 13.5944664375 10 1.0 11.1285920437 10.0 1.0 1 1 1 70 131.00983152959674 32724.4669921875 13.595254618520025 10 1.0 11.128592043741339 10.0 1.0 1 1 1
71 131.010517015 127842.977344 53.1638626738 10 1.0 9.43481336223 10.0 1.0 1 1 1 71 131.0105170153733 127842.97734375 53.16744311657028 10 1.0 9.434813362234568 10.0 1.0 1 1 1
72 131.01894555 39961.2171875 16.6229291951 10 1.0 11.8138322447 10.0 1.0 1 1 1 72 131.01894554950934 39961.2171875 16.62403311017334 10 1.0 11.813832244650584 10.0 1.0 1 1 1
73 132.074578205 26405.9945312 11.0354306874 5 0.5 3.65462383356 5.0 1.0 1 1 1 73 132.07457820523678 26405.99453125 11.035651318166138 5 0.5 3.65462383355561 5.0 1.0 1 1 1
74 132.075004034 59877.7414063 24.9011197175 10 1.0 5.28930369274 10.0 1.0 1 1 1 74 132.07500403365384 59877.74140625 24.902676654163102 10 1.0 5.289303692741976 10.0 1.0 1 1 1
75 132.075562283 301858.33125 125.518083457 10 1.0 4.10512535905 10.0 1.0 1 1 1 75 132.07556228301442 301858.33125 125.52525176231083 10 1.0 4.105125359047108 10.0 1.0 1 1 1
76 132.076094681 1417956.6625 589.708662775 10 1.0 3.30774448058 10.0 1.0 1 1 1 76 132.07609468075907 1417956.6625 589.7452644560113 10 1.0 3.307744480583563 10.0 1.0 1 1 1
77 132.076676157 14250788.4 5925.57226979 10 1.0 3.52929445829 10.0 1.0 1 1 1 77 132.07667615708965 14250788.4 5925.922901730226 10 1.0 3.5292944582895203 10.0 1.0 1 1 1
78 132.077210641 1613547.95 670.968980519 10 1.0 2.86269204931 10.0 1.0 1 1 1 78 132.0772106409103 1613547.95 671.0087906269921 10 1.0 2.8626920493060823 10.0 1.0 1 1 1
79 132.078005891 37604.1848958 15.7029746373 6 0.6 5.72565255199 6.0 1.0 1 1 1 79 132.07800589064155 37604.184895833336 15.703256369702222 6 0.6 5.725652551986412 6.0 1.0 1 1 1
80 132.078270794 25327.3378906 10.6012826559 2 0.2 1.19136581728 2.0 1.0 1 0 0 80 132.07827079441364 25327.337890625 10.601282655883589 2 0.2 1.1913658172810402 2.0 1.0 1 0 0
81 132.100767039 26494.3220486 11.0345091009 9 0.9 3.45570412732 9.0 1.0 1 1 1 81 132.10076703903638 26494.32204861111 11.035257191393038 9 0.9 3.455704127315869 9.0 1.0 1 1 1
82 132.101249036 94188.9226562 39.1864550912 10 1.0 3.98227795275 10.0 1.0 1 1 1 82 132.1012490364971 94188.92265625 39.18886641912209 10 1.0 3.982277952746074 10.0 1.0 1 1 1
83 132.101920378 317759.39375 132.239096336 10 1.0 4.66832263696 10.0 1.0 1 1 1 83 132.10192037838263 317759.39375 132.24715923181589 10 1.0 4.6683226369591315 10.0 1.0 1 1 1
84 132.102463955 26707.4921875 11.2021336646 6 0.6 4.96843714156 6.0 1.0 1 1 1 84 132.10246395534307 26707.4921875 11.202314942833034 6 0.6 4.968437141557712 6.0 1.0 1 1 1
85 133.03459833 46583.5894531 19.4010396798 10 1.0 24.22410456 10.0 1.0 1 1 1 85 133.03459832997407 46583.589453125 19.40209589237402 10 1.0 24.22410455999488 10.0 1.0 1 1 1
86 133.07311766 27546.687717 11.4637914371 9 0.9 8.54681071009 9.0 1.0 1 1 1 86 133.07311766034755 27546.68771701389 11.464521219592818 9 0.9 8.54681071008548 9.0 1.0 1 1 1
87 133.073803822 98356.3898438 40.9026906742 10 1.0 5.74648922664 10.0 1.0 1 1 1 87 133.07380382183766 98356.38984375 40.905065824653015 10 1.0 5.746489226642542 10.0 1.0 1 1 1
88 133.078934522 30888.2041016 12.8492901904 10 1.0 5.08108969722 10.0 1.0 1 1 1 88 133.0789345220523 30888.2041015625 12.85003942220413 10 1.0 5.081089697216299 10.0 1.0 1 1 1
89 133.079454614 110749.349219 46.0427132653 10 1.0 5.47922789797 10.0 1.0 1 1 1 89 133.07945461397708 110749.34921875 46.045348793383866 10 1.0 5.479227897967657 10.0 1.0 1 1 1
90 133.080121632 417736.096875 173.705480815 10 1.0 3.92944784157 10.0 1.0 1 1 1 90 133.08012163174948 417736.096875 173.7158488793661 10 1.0 3.929447841569056 10.0 1.0 1 1 1
91 133.080629511 33483.5688477 13.922718078 4 0.4 9.29710900514 4.0 1.0 1 0 0 91 133.08062951059802 33483.56884765625 13.923020627378731 4 0.4 9.297109005136463 4.0 1.0 1 0 0
92 133.105282974 27610.9349888 11.4970760831 7 0.7 8.67322473091 7.0 1.0 1 1 1 92 133.10528297355975 27610.934988839286 11.497993903001632 7 0.7 8.673224730912532 7.0 1.0 1 1 1
93 134.081007898 47261.8609375 19.6498461874 10 1.0 9.57834265592 10.0 1.0 1 1 1 93 134.0810078977215 47261.8609375 19.650956621942676 10 1.0 9.578342655920165 10.0 1.0 1 1 1
94 134.996487915 32432.7425781 13.4704819348 10 1.0 17.4038993426 10.0 1.0 1 1 1 94 134.99648791496702 32432.742578125 13.471250478889795 10 1.0 17.403899342648828 10.0 1.0 1 1 1
95 135.002871646 85007.3570312 35.3842711425 10 1.0 6.95985203298 10.0 1.0 1 1 1 95 135.0028716458914 85007.35703125 35.386376264479566 10 1.0 6.959852032975468 10.0 1.0 1 1 1
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