Mercurial > repos > eslerm > vkmz
view test-data/variableMetadata.tabular @ 6:35b984684450 draft
planemo upload for repository https://github.com/HegemanLab/VKMZ commit 5ef8d2b36eb35ff5aad5d5e9b78c38405fc95c1a
| author | eslerm |
|---|---|
| date | Tue, 10 Jul 2018 17:58:35 -0400 |
| parents | 0b8ddf650752 |
| children |
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variableMetadata mz mzmin mzmax rt rtmin rtmax npeaks control treatment isotopes adduct pcgroup PCA_XLOAD-p1 PCA_XLOAD-p2 PM58.065T66 58.0649616577015 58.0648970777637 58.0653140830574 66.4569085127684 65.6302531891097 69.8827733003833 13 3 10 [M-H-C6H8O6]- 235.105 7 0.0444580102916217 -0.0343976736297 PM59.0362T637 59.0361991847715 59.0360998567896 59.0365812350582 637.341103007695 628.128559167436 645.065692191741 29 3 26 1 0.0325577281914756 0.0720926219693828 PM59.0606T284 59.0605836804757 59.0605613369902 59.060597610396 283.728855016502 268.145711881462 285.739062189393 7 3 4 25 -0.0273714520866311 -0.00792884533525291 PM59.0606T68 59.0605872209504 59.0605776285004 59.0726336046207 68.4751863106318 64.9737065076563 70.8135094183931 6 3 3 21 -0.0330578833811803 -0.0171094411006246 PM60.0558T363 60.0558291245611 60.0557983617521 60.0558620903094 362.99493553802 350.087756916266 370.612380934883 42 6 36 50 0.00926897282727714 0.0248533883518272 PM60.0558T745 60.0558083902276 60.044573312429 60.0558521389992 744.988599401189 696.665913738628 749.002171164123 22 3 16 [M-H-CH3]- 76.0822 95 0.05984942299677 0.00273082046493986 PM60.081T66 60.080983523099 60.0809475241736 60.0810151676251 66.0563353227881 64.4593925428515 159.233710935131 41 6 32 [M-H-C4H8]- 117.149 7 0.0522933576900129 -0.0294973234327019 PM61.0398T165 61.0398212739586 61.0397978604016 61.0398488364881 165.421497310763 163.29628760783 186.970106464683 14 6 8 48 0.0213225436654477 -0.0279948758517441 PM62.0602T352 62.0601947061464 62.0601500557991 62.0602302402622 351.869377161561 345.840496889973 361.660675587353 42 6 36 163 0.0472174273434776 -0.040704317979659 PM64.0159T321 64.0158714803237 64.0158365383995 64.0294789851016 321.149360432711 300.94439521352 347.757001353444 40 6 34 [1][M]- 8 -0.0123281791033326 -0.00692100123800598 PM64.0159T71 64.0158774629102 64.0020784991177 64.0295742358744 71.4949153081796 67.6380432508812 73.9728449717285 30 3 27 [2][M]- 166 0.0320117461832363 0.0232582638833211 PM65.0192T322 65.0191993163889 65.019171911959 65.0192242518461 322.011837879375 303.73883871476 347.757001353444 39 6 33 [1][M+1]- 8 -0.0162508934874903 -0.00822179212683447 PM65.0192T71 65.0192097770756 65.0191745064462 65.0192347559098 71.1825750294259 67.6380432508812 73.9728449717285 22 3 19 [2][M+1]- 166 0.0209375803320092 0.0257653092537973 PM65.0605T854 65.0605021066923 65.0604584712513 65.0605302448169 853.622756000014 851.239954528327 855.30642070025 42 6 36 4 0.0543609882416988 -0.00695481256186887 PM66.0683T748 66.068312412181 66.0681984785475 66.068335613669 747.877219728808 724.237829196182 752.818350290053 43 6 36 6 0.0584867620237074 -0.0123740335155075 PM69.0336T402 69.0335874731286 69.0335355795789 69.0338091318184 401.949760673994 391.643883587359 419.787616067709 42 6 36 [M-H-H20]- 88.0523 12 0.000316381716064739 0.0545658381605183 PM69.0448T284 69.0448255436776 69.0447869818636 69.0448505657494 283.728855016502 248.530240117923 333.064086502469 33 3 30 25 -0.030898891317677 0.0417375048496894 PM70.0288T674 70.0288111270199 70.0287774969301 70.0288522591239 673.855295476991 666.262372849839 677.080183372129 15 3 12 [M+Cl]- 35.0594 [M-H]- 71.0361 43 0.0565138005713393 0.0083799625799253 PM70.0652T454 70.0652118282021 70.065171790553 70.0652400650796 454.323944169882 452.153480408326 458.734298585503 42 6 36 [3][M]- [M+Cl]- 35.0958 [M-H]- 71.0725 124 0.0142074180271394 0.0323456116545667 PM70.0652T854 70.0652030887819 70.0651541621238 70.0652306557687 853.864129819307 851.383117313941 855.30642070025 40 6 34 4 0.0547017018575661 -0.00169650755033441 PM71.0685T457 71.0685458735414 71.0684911836948 71.0686742429538 456.571742494902 452.898241495009 458.734298585503 19 0 19 [3][M+1]- 124 0.0113122923537708 0.0336450105757788 PM72.0808T748 72.0808318911997 72.0557091944054 72.0808828494203 747.783822162075 724.525338792825 751.830689808761 37 6 31 [M-H-COCH2]- 115.108 6 0.0578699720547366 -0.0156924609262165 PM72.0808T421 72.0808452166067 72.0808127132098 72.0808822199762 420.846942569535 349.128537804296 437.4886769661 44 6 36 [4][M]- 24 -0.018979783688937 0.0604657572722217 PM73.0842T421 73.084172515719 73.0839048768387 73.0842274988564 420.920939266513 418.452954390657 437.4886769661 42 6 36 [4][M+1]- 24 -0.0194759830382718 0.0587206652904023 PM73.0649T322 73.0648648596205 73.0648288502539 73.0649566929148 322.26478417714 303.958424541074 335.830404532344 21 2 19 140 0.00470171886534609 0.0739438125044838 PM73.063T852 73.0629741614692 73.0628746810074 73.0631217751704 852.231414887092 851.692004352229 854.374444618064 16 3 13 [M-H-C4H8]- 130.123 4 0.0573074811427187 -0.00195528483483961 PM73.0842T746 73.0841594839699 73.0837943150657 73.0842116945268 745.585636081108 744.562467257894 749.002171164123 14 3 11 [M+Cl]- 38.1181 95 0.0599301504359552 -0.00353686029523022 PM74.0237T733 74.0236754562122 74.0235529709959 74.023729393091 733.012181322528 662.911365946474 737.203145489946 55 6 32 157 0.0577978362480689 -0.00521355962949166 PM74.0601T598 74.0601190348419 74.0600695648705 74.0601915787361 597.857293445208 594.69373885293 601.156242003001 42 6 36 [5][M]- [M+Cl]- 39.0907 16 0.0279980108517734 0.085321008192344 PM74.0965T66 74.0964655253602 74.0964165711514 74.0965059990541 65.7870543990021 64.1286950696732 158.320407179716 24 3 17 [6][M]- [M+Cl]- 39.1282 7 0.0411400185438336 -0.00798726998101483 PM75.0635T596 75.0634756168358 75.0633774605355 75.0635448241631 596.394195961009 594.094656679159 601.156242003001 25 3 22 [5][M+1]- 161 0.0239248771412616 0.0886426925468786 PM75.0735T745 75.073498441381 75.0732216301712 75.0735250970577 745.426854443224 744.888788182172 748.718259910391 10 3 7 [M-2H+K]- 38.1181 [M-H]- 76.0822 95 0.0585980946289094 -0.0108758894396442 PM75.0998T65 75.0998395207858 75.09977437091 75.0998701600803 64.5126177550257 63.1719551083711 66.8005886313842 10 3 7 [6][M+1]- 7 0.0369773408858971 -0.015305608464864 PM76.0393T595 76.0393057276606 76.0392545828932 76.0393673110884 594.932599331212 590.062324374407 599.812477629257 42 6 36 [M-2H+K]- 39.0907 16 0.000996989757739439 -0.0564832091849796 PM76.0757T288 76.0757435090328 76.0756900150818 76.0757737336612 288.449006076519 269.578459792829 339.469835587258 36 6 30 220 0.00888767776990459 0.0586455712814875 PM77.0427T595 77.0426575258346 77.0426196738897 77.0426788835354 594.805498202783 591.264469714518 599.812477629257 22 3 19 [5][M+2]- 16 8.51556090682724e-05 -0.0555476080155772 PM81.0447T146 81.0447480081308 81.0446393984109 81.0447937637516 145.917648149097 55.775194273334 168.460630117066 47 6 36 [M-H+Cl]2- 128.128 [M-2H]2- 164.105 54 -0.024779532091252 -0.0199304756595952 PM80.948T823 80.9479605918487 80.9479004663598 80.9479832826888 822.791911551393 818.926879492896 824.448481224112 33 3 30 87 -0.0108796241229746 -0.0386512345402274 PM82.945T822 82.9449942036037 82.9449207761327 82.9450272268373 822.48043342199 818.620691672903 824.077721908038 24 3 21 87 -0.0126600925480095 -0.0462070997847266 PM84.0444T639 84.0443611190827 84.0442996499357 84.0443992603774 639.116785306695 625.929620404143 679.293855549138 68 6 36 [7][M]- [M+Cl]- 49.0749 [M-H]- 85.0516 [M-H-HCOOH]- 131.057 1 0.0341529876473233 0.0693515979497891 PM84.0808T67 84.0807887691669 84.0807421117553 84.0808226409559 67.3177191637889 60.8964474597148 69.2056872885508 42 6 36 136 0.0380083755350068 0.012773369639047 PM85.0477T638 85.0477026197278 85.0476179723986 85.0481673994574 637.772970093307 627.527436315464 675.572200873591 56 6 36 [7][M+1]- 1 0.0435189796846368 0.0396933247693823 PM85.0284T733 85.0284018689302 85.0283468576954 85.0284360345747 732.772262546489 730.825685878214 734.333012153648 42 6 36 [M-H-COCH2]- 128.047 15 -0.00687684556667316 0.0158035664442978 PM85.0284T478 85.0283802413178 85.028328847375 85.0284246736807 478.075822340558 472.462285441707 480.775653029174 40 5 35 [M-H-CH2]- 100.051 60 0.0357562231629051 0.070194577587374 PM85.0765T65 85.0765140767923 85.076005050881 85.0836966708985 65.167204488473 63.1483766498492 68.2717680025791 42 6 36 [M-H]- 86.0856 7 0.0376971512879277 -0.0463492873959905 PM85.076T162 85.076036415998 85.0759828160863 85.0760944178653 161.51086826424 157.144914959411 179.180991502327 42 6 36 214 0.0446118525816365 -0.0403968118734585 PM85.5737T854 85.5736625603272 85.573612239717 85.5736926254713 853.712757427909 851.383117313941 855.30642070025 38 6 32 4 0.0518365543288469 -0.00998295338843669 PM86.0964T391 86.0964041619018 86.0600179633678 86.096469765913 390.692221601461 315.258865818635 409.734235277273 51 6 36 [M+Cl]- 51.127 [M-H]- 87.1037 3 -0.0158465830875657 0.0864764441826069 PM86.5815T748 86.5814979548175 86.5814624753721 86.5815214284019 747.830520945442 724.525338792825 751.644789971212 36 6 30 6 0.0586679753906511 -0.0114978618890258 PM87.0553T668 87.0553011222594 87.0552493720793 87.0553357932768 667.64354276644 661.759161252434 675.862266729598 42 6 36 128 0.0569125565738646 0.00920893003687709 PM87.0441T402 87.0440659390699 87.0440160465384 87.0441043004442 401.949760673994 391.643883587359 419.787616067709 42 6 36 [M-H]- 88.0523 12 0.000556469580970351 0.0588771541554471 PM88.0393T735 88.0393183908424 88.0392587518333 88.0393562938871 735.114767453232 683.719545469161 737.734997544602 69 6 33 [M+Cl]- 53.0699 [M-H]- 89.0466 20 0.0586158016218094 -0.0136319884415265 PM88.0631T854 88.0631317590858 88.0630748492037 88.0631719001869 853.780570077324 851.383117313941 855.30642070025 39 6 33 4 0.0502263772246708 -0.00554489174103322 PM88.1121T64 88.112076111701 88.1120199152797 88.1121113429468 63.7290257602653 61.73071353459 156.462433156948 44 6 32 [M-H-C2H4]- 117.149 7 0.0504098213902539 -0.00951503830622342 PM88.0757T283 88.0756595980737 88.0755769561189 88.075726766702 283.060732172368 244.673718452874 331.467850170241 42 6 36 [8][M]- 25 0.027850452429758 -0.039654448653616 PM89.079T286 89.079005635809 89.0709457862893 89.0790874882078 285.95675384203 244.673718452874 339.407193915327 50 6 36 [8][M+1]- 25 0.0282998889977127 -0.0396906432212331 PM89.1074T849 89.1073664417206 89.1072963941765 89.1074080519195 849.409691478311 803.880157186464 852.248737668263 34 6 28 92 0.0540493534902984 -0.0109720428412487 PM89.1154T63 89.115384504517 89.115265386815 89.1154242504809 62.7817489179474 61.0811535305271 64.1848735002255 18 4 14 80 0.0504954534692522 -0.0090131648655689 PM89.0686T556 89.0685604769516 89.0685324356044 89.0686010662081 555.53586868298 547.346765810857 556.810673002566 17 3 14 256 -0.022521708761392 -0.0297673011145862 PM90.0549T524 90.0548818565871 90.0548441147567 90.0550157785058 524.186140677905 520.43482507791 555.859355902918 43 6 36 [9][M]- 13 -0.00834610989137569 0.0295034122691788 PM90.055T426 90.0549741004361 90.0549279656231 90.0550326045684 425.712352778439 422.766992906202 435.792166266563 25 6 19 149 0.0229079248898558 -0.0623059304415763 PM90.0914T322 90.0913785193314 90.0908988586943 90.0914409629033 321.960559386979 302.837749584752 336.62011595909 42 6 36 8 0.00268310913096459 0.0802675130437289 PM90.9767T322 90.976665081516 90.9766152458515 90.9767061389818 321.510089880254 295.854638691344 347.757001353444 42 6 36 [M+Cl]- 56.0073 [M-H]- 91.9839 8 0.0171724173749168 -0.0383175490793965 PM91.0582T524 91.058235258037 91.0581999452958 91.058281358797 524.088475606061 520.43482507791 527.296551950635 42 6 36 [9][M+1]- 13 -0.00845905634838329 0.0311508778706506 PM94.0451T301 94.0450715102327 94.0450101091887 94.0451219149251 300.782931584811 276.105327181038 334.676832816695 42 6 36 29 -0.0490158809251663 -0.0220524926348738 PM95.0438T311 95.0438465377156 95.0438008404604 95.0438860680548 311.164730303844 293.076559670551 334.676832816695 27 3 24 57 -0.0489781347527912 -0.0211129285029991 PM95.0604T147 95.0603798816658 95.0603211279476 95.0604233567409 147.388384852003 137.565531807235 168.460630117066 35 4 31 54 -0.0255371530237853 -0.0162052190270129 PM95.0834T690 95.0834080873698 95.0833812604896 95.0834760381674 689.856244108151 686.948076937114 691.853486770586 8 3 5 61 0.0565399857891872 -0.00808741232810443 PM96.0444T235 96.044388921758 96.044345378144 96.0444405133368 234.70251068065 225.010499665674 266.622212186551 21 3 18 112 0.0595195992592515 0.00169434649230495 PM97.0284T478 97.0283966931816 97.0283691938063 97.0284548895472 478.383454093852 473.478845883986 480.952498396084 18 3 15 60 0.0405941788390626 0.0663093924593085 PM97.0284T734 97.0284403629283 97.0283495093529 97.0760902943519 733.995387477452 731.419691812498 745.850571864768 42 6 36 15 0.0220413042438508 0.00583092169847309 PM98.0601T421 98.0601319608394 98.0599799400007 98.0606386943925 420.60419052074 409.225866669286 435.792166266563 22 3 19 24 0.0363859055626901 -0.0375579584751874 PM98.9841T906 98.984144244277 98.9840409906205 98.9842020125982 905.707817706697 903.987753913188 906.628350738598 42 6 36 [M-2H]2- 199.985 14 0.0583986475214948 -0.00383391814369504 PM99.0441T478 99.0441039413391 99.0440445248042 99.0441453898913 478.310454259187 472.462285441707 480.952498396084 21 3 18 [M-H]- 100.051 60 -0.0351312678700649 -0.0180750728056014 PM99.0917T157 99.0916912763149 99.0552613616845 99.0917853346814 156.940040050321 142.01598941774 168.460630117066 41 6 35 84 0.0525828739733422 -0.0253756661553002 PM99.0917T63 99.0917101976864 99.0916449507506 99.0917483488858 63.1729339214043 59.6673267895667 67.3545540933707 38 6 32 259 0.0534150232353322 -0.0370469778883391 PM100.075T449 100.075025687119 100.074896669613 100.112157407518 449.073909892071 361.960339190836 453.30454974441 19 3 12 18 0.0483308291092378 0.0203984852226451 PM101.071T631 101.070962272306 101.05980469312 101.071004629609 630.958473501243 609.562916735008 661.668067027681 30 3 21 [M-H+Cl]2- 168.18 [M-2H]2- 204.157 45 0.0448426748657548 0.0507641435849933 PM100.9884T906 100.988395711789 100.988342365684 101.107428523722 905.573348845855 860.815778418292 906.393271075313 24 3 18 14 0.0582287612434487 -0.00614463407566302 PM101.1074T66 101.107404273206 101.1072557969 101.107423736437 65.5868880793155 64.3584596785607 67.7295182208533 13 3 10 [M-H-CH3]- 117.149 7 0.0455368692242579 -0.0404026079841619 PM102.055T598 102.054983511375 102.054917870469 102.055013940076 597.617158273643 594.05142167802 601.156242003001 42 6 36 16 0.02741226581382 0.0854349226420989 PM102.055T668 102.054964810095 102.054904905337 102.055027889001 667.754522771945 652.751013261636 676.382967852961 39 6 33 [M+Cl]- 67.0856 [M-H]- 103.062 5 0.0589616388834444 -0.0184413086046014 PM102.055T769 102.054994072527 102.033817071403 102.055580268147 769.066973539175 745.359585061276 854.668719270864 41 5 29 40 0.0206765428676144 0.0904443387059849 PM102.1278T64 102.12781742922 102.127742173901 102.127865318343 64.4324194472357 62.1748319442385 66.3736624687025 42 6 36 [10][M]- [M-H-CH2]- 117.149 7 0.0433753393504781 -0.0012765699772089 PM102.0679T166 102.067925429301 102.067554887485 102.068615888985 166.485074861732 163.29628760783 185.017739217305 7 3 4 48 0.0157918002782578 -0.0179670544485665 PM103.1312T65 103.131157010466 103.057652289143 103.131229041403 64.5614093134123 62.1748319442385 67.9454606159015 41 6 35 [10][M+1]- 7 0.0272920207026003 0.0760104512676791 PM103.0866T328 103.086610159628 103.057479070827 103.086685922687 328.008169006198 230.782997621113 355.967390061177 48 5 30 56 0.00142917645844731 0.105992343455876 PM104.107T66 104.106969370531 104.106858235817 104.107021903524 65.7650889635583 63.2605058555364 67.3545540933707 42 6 36 7 0.0574507189990156 -0.014195253545853 PM104.0706T401 104.07057219124 104.070517389765 104.089992622007 400.850921204904 327.349217105979 419.787616067709 44 6 36 [11][M]- [M-H+NH3]- 88.0523 12 -0.00160594880984328 0.0622785334693669 PM105.0424T319 105.042370964074 105.042307596108 105.042414281217 318.625922485124 293.539779470224 347.757001353444 41 6 35 [M-H-CH4]- 122.074 8 -0.0272729915525305 -0.00642708368797894 PM105.0739T402 105.073913449601 105.073853333884 105.073971008546 401.710272523915 391.643883587359 419.787616067709 42 6 36 [11][M+1]- 12 -0.00168967090288876 0.0624453681578473 PM105.0423T72 105.042323638724 105.042209504747 105.110229599146 71.5617705503057 66.4569085127684 73.3486273589211 42 6 36 21 0.0254799794180066 0.0255095358131015 PM106.0499T697 106.049889055268 106.049792224198 106.049952496518 696.76641264828 691.770677668553 698.4005593762 42 6 36 [12][M]- 11 0.0568153635033172 -0.0332860717888923 PM106.1107T66 106.110736344385 106.110636138663 106.110988423049 66.4569085127684 64.8183823613382 67.3545540933707 15 3 12 [M-H+NaCOOH]- 39.1282 7 0.0575914891023276 -0.013556836607875 PM107.0532T697 107.053219716159 107.053107562905 107.053281588916 696.764219934938 691.770677668553 698.4005593762 41 6 35 [12][M+1]- 11 0.0568229883449484 -0.0331336546270413 PM106.9506T318 106.950611817569 106.950536279087 106.950653440703 317.510143247929 291.466249999267 346.336684196675 40 6 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