Mercurial > repos > computational-metabolomics > mspurity_spectralmatching
view test-data/averageFragSpectra_output_inter.tsv @ 4:aee10d29e82c draft
"planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit cbbd708ea1e93b1b1643f6bf6da72af65ffd9950"
author | computational-metabolomics |
---|---|
date | Mon, 10 Aug 2020 08:39:40 -0400 |
parents | 5ff9d40c7a42 |
children |
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"grpid" "fileid" "filename" "cl" "mz" "i" "snr" "rsd" "count" "total" "inPurity" "ra" "frac" "snr_pass_flag" "minnum_pass_flag" "minfrac_pass_flag" "ra_pass_flag" "pass_flag" "method" "avid" "12" "1" "LCMSMS_2.mzML" 1 112.050888061523 440629.6875 1 NA 1 1 1 100 1 TRUE TRUE TRUE TRUE TRUE "intra" 1 "12" "2" "LCMSMS_1.mzML" 1 112.050880432129 565117.25 1.99119365130368 NA 1 1 1 100 1 TRUE TRUE TRUE TRUE TRUE "intra" 2 "12" "2" "LCMSMS_1.mzML" 2 126.53768157959 2499.31469726562 0.00880634869631973 NA 1 1 1 0.442264803855417 1 TRUE TRUE TRUE TRUE TRUE "intra" 3 "12" NA NA 1 112.050884246826 502873.46875 1.49559682565184 17.5046020693718 2 2 1 100 1 TRUE TRUE TRUE TRUE TRUE "inter" 4 "12" NA NA 2 126.53768157959 2499.31469726562 0.00880634869631973 NA 1 2 1 0.442264803855417 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 5 "14" "1" "LCMSMS_2.mzML" 1 113.034782409668 13262784 1 NA 1 1 1 100 1 TRUE TRUE TRUE TRUE TRUE "intra" 6 "14" "2" "LCMSMS_1.mzML" 1 112.999992370605 67035.0703125 0.0166921251649536 NA 1 1 1 0.84163055956917 1 TRUE TRUE TRUE TRUE TRUE "intra" 7 "14" "2" "LCMSMS_1.mzML" 2 113.034805297852 7964904.5 1.98330787483505 NA 1 1 1 100 1 TRUE TRUE TRUE TRUE TRUE "intra" 8 "14" NA NA 1 112.999992370605 67035.0703125 0.0166921251649536 NA 1 2 1 0.84163055956917 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 9 "14" NA NA 2 113.03479385376 10613844.25 1.49165393741752 35.2950960285591 2 2 1 100 1 TRUE TRUE TRUE TRUE TRUE "inter" 10 "17" "1" "LCMSMS_2.mzML" 2 116.016784667969 5682.14404296875 1 71.4606063273013 3 3 1 3.81632335062543 1 TRUE TRUE TRUE TRUE TRUE "intra" 11 "17" "1" "LCMSMS_2.mzML" 3 116.070899963379 149471.265625 24.7461349458028 141.620390523092 3 3 1 100 1 TRUE TRUE TRUE TRUE TRUE "intra" 12 "17" "1" "LCMSMS_2.mzML" 4 116.10725402832 6152.61499023438 0.790986039739247 50.735778159677 2 3 0.975316120547933 4.81700933424858 0.666666666666667 TRUE TRUE TRUE TRUE TRUE "intra" 13 "17" "2" "LCMSMS_1.mzML" 2 116.016510009766 3662.43212890625 0.738786583000151 29.8076183488603 2 3 0.994688094344781 2.77138370920908 0.666666666666667 TRUE TRUE TRUE TRUE TRUE "intra" 14 "17" "2" "LCMSMS_1.mzML" 3 116.070892333984 165623.640625 14.5635358356945 140.530871323806 3 3 1 100 1 TRUE TRUE TRUE TRUE TRUE "intra" 15 "17" "2" "LCMSMS_1.mzML" 4 116.107261657715 6898.55065917969 0.956173791148399 91.7164137067514 2 3 0.994688094344781 4.63500954068241 0.666666666666667 TRUE TRUE TRUE TRUE TRUE "intra" 16 "17" NA NA 1 116.016647338867 4672.2880859375 0.869393291500075 30.5664369193171 2 2 0.99734404717239 3.29385352991726 1 TRUE TRUE TRUE TRUE TRUE "inter" 17 "17" NA NA 2 116.070896148682 157547.453125 19.6548353907486 7.24953254922258 2 2 1 100 1 TRUE TRUE TRUE TRUE TRUE "inter" 18 "17" NA NA 3 116.107257843018 6525.58282470703 0.873579915443823 8.08289748224649 2 2 0.985002107446357 4.7260094374655 1 TRUE TRUE TRUE TRUE TRUE "inter" 19 "41" "1" "LCMSMS_2.mzML" 3 132.102035522461 273406.25 1.94054572396439 152.255466714338 3 3 1 100 1 TRUE TRUE TRUE TRUE TRUE "intra" 20 "41" "2" "LCMSMS_1.mzML" 3 132.102035522461 402822.6875 1.93538926476893 141.682336268814 3 3 1 100 1 TRUE TRUE TRUE TRUE TRUE "intra" 21 "41" NA NA 1 132.102035522461 338114.46875 1.93796749436666 27.0651655019584 2 2 1 100 1 TRUE TRUE TRUE TRUE TRUE "inter" 22 "47" "1" "LCMSMS_2.mzML" 1 104.860054016113 30638.400390625 0.416467577099884 NA 1 2 1 0.0925886204295279 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 23 "47" "1" "LCMSMS_2.mzML" 2 110.028198242188 67928.296875 0.923348897310881 NA 1 2 1 0.205277926249314 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 24 "47" "1" "LCMSMS_2.mzML" 3 110.035266876221 733295.444335938 15.4010441134192 136.514245052138 2 2 1 4.20883163203569 1 TRUE TRUE TRUE TRUE TRUE "intra" 25 "47" "1" "LCMSMS_2.mzML" 4 110.559509277344 33952.66015625 0.461518288523181 NA 1 2 1 0.102604245773278 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 26 "47" "1" "LCMSMS_2.mzML" 5 112.050758361816 37811.4998779297 0.952942592809956 133.732740851463 2 2 1 0.275269675890879 1 TRUE TRUE TRUE TRUE TRUE "intra" 27 "47" "1" "LCMSMS_2.mzML" 6 119.035530090332 552159.596679688 11.6096452941789 136.498762407513 2 2 1 3.17391657883486 1 TRUE TRUE TRUE TRUE TRUE "intra" 28 "47" "1" "LCMSMS_2.mzML" 7 127.993309020996 1960.09631347656 0.863760870096131 NA 1 2 1 0.312957948098884 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 29 "47" "1" "LCMSMS_2.mzML" 8 128.045852661133 75962.28125 1.03255479463111 NA 1 2 1 0.229556462998942 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 30 "47" "1" "LCMSMS_2.mzML" 9 136.124038696289 2269.25805664062 1 NA 1 2 1 0.362320126939825 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 31 "47" "1" "LCMSMS_2.mzML" 10 137.045845031738 16858602.5 362.901649844943 136.167419329487 2 2 1 100 1 TRUE TRUE TRUE TRUE TRUE "intra" 32 "47" "1" "LCMSMS_2.mzML" 11 138.030548095703 43127.65234375 0.586233897612476 NA 1 2 1 0.130330884836075 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 33 "47" "1" "LCMSMS_2.mzML" 12 154.112442016602 2006.76232910156 0.884325307661281 NA 1 2 1 0.320408857727935 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 34 "47" "2" "LCMSMS_1.mzML" 1 109.06566619873 2550.77392578125 1 NA 1 2 1 0.305422285922778 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 35 "47" "2" "LCMSMS_1.mzML" 2 110.035278320312 290341.673828125 9.0575810743588 122.34376464248 2 2 1 4.56340296514139 1 TRUE TRUE TRUE TRUE TRUE "intra" 36 "47" "2" "LCMSMS_1.mzML" 3 112.050743103027 12029.1610107422 0.53554640984846 112.604004094117 2 2 1 0.235270850433356 1 TRUE TRUE TRUE TRUE TRUE "intra" 37 "47" "2" "LCMSMS_1.mzML" 4 119.020355224609 16488.48828125 0.084047574849974 NA 1 2 1 0.135103681148777 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 38 "47" "2" "LCMSMS_1.mzML" 5 119.035415649414 200743.407226562 6.96920537446945 119.770231773635 2 2 1 3.35889204889071 1 TRUE TRUE TRUE TRUE TRUE "intra" 39 "47" "2" "LCMSMS_1.mzML" 6 128.04508972168 18434.0234375 0.0939646460137461 NA 1 2 1 0.151045043202728 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 40 "47" "2" "LCMSMS_1.mzML" 7 137.04581451416 6519742.5 194.812608265452 123.30562787239 2 2 1 100 1 TRUE TRUE TRUE TRUE TRUE "intra" 41 "47" "2" "LCMSMS_1.mzML" 8 138.029312133789 2125.6455078125 0.833333556662203 NA 1 2 1 0.254518639811929 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 42 "47" "2" "LCMSMS_1.mzML" 9 159.283874511719 2343.61376953125 0.918785371703785 NA 1 2 1 0.280617528498179 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 43 "47" NA NA 1 104.860054016113 30638.400390625 0.416467577099884 NA 1 2 1 0.0925886204295279 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 44 "47" NA NA 2 109.06566619873 2550.77392578125 1 NA 1 2 1 0.305422285922778 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 45 "47" NA NA 3 110.028198242188 67928.296875 0.923348897310881 NA 1 2 1 0.205277926249314 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 46 "47" NA NA 4 110.035272598267 511818.559082031 12.229312593889 61.196611439802 2 2 1 4.38611729858854 1 TRUE TRUE TRUE TRUE TRUE "inter" 47 "47" NA NA 5 110.559509277344 33952.66015625 0.461518288523181 NA 1 2 1 0.102604245773278 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 48 "47" NA NA 6 112.050750732422 24920.3304443359 0.744244501329208 73.1566007463653 2 2 1 0.255270263162118 1 TRUE TRUE TRUE TRUE TRUE "inter" 49 "47" NA NA 7 119.020355224609 16488.48828125 0.084047574849974 NA 1 2 1 0.135103681148777 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 50 "47" NA NA 8 119.035472869873 376451.501953125 9.28942533432417 66.0081761639465 2 2 1 3.26640431386278 1 TRUE TRUE TRUE TRUE TRUE "inter" 51 "47" NA NA 9 127.993309020996 1960.09631347656 0.863760870096131 NA 1 2 1 0.312957948098884 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 52 "47" NA NA 10 128.04508972168 18434.0234375 0.0939646460137461 NA 1 2 1 0.151045043202728 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 53 "47" NA NA 11 128.045852661133 75962.28125 1.03255479463111 NA 1 2 1 0.229556462998942 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 54 "47" NA NA 12 136.124038696289 2269.25805664062 1 NA 1 2 1 0.362320126939825 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 55 "47" NA NA 13 137.045829772949 11689172.5 278.857129055198 62.5423058453312 2 2 1 100 1 TRUE TRUE TRUE TRUE TRUE "inter" 56 "47" NA NA 14 138.029312133789 2125.6455078125 0.833333556662203 NA 1 2 1 0.254518639811929 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 57 "47" NA NA 15 138.030548095703 43127.65234375 0.586233897612476 NA 1 2 1 0.130330884836075 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 58 "47" NA NA 16 154.112442016602 2006.76232910156 0.884325307661281 NA 1 2 1 0.320408857727935 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 59 "47" NA NA 17 159.283874511719 2343.61376953125 0.918785371703785 NA 1 2 1 0.280617528498179 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 60 "48" "1" "LCMSMS_2.mzML" 3 110.060348510742 36283.7578125 4.68940544560033 157.998281406441 3 3 0.982863487460479 6.11593658626055 1 TRUE TRUE TRUE TRUE TRUE "intra" 61 "48" "1" "LCMSMS_2.mzML" 4 110.072189331055 8668.18530273438 0.231331574124235 96.8618285568104 2 3 0.954447805545062 0.306884209939177 0.666666666666667 TRUE TRUE TRUE TRUE TRUE "intra" 62 "48" "1" "LCMSMS_2.mzML" 14 138.054916381836 542459.3125 20.4294160787724 162.944887375264 3 3 0.982863487460479 100 1 TRUE TRUE TRUE TRUE TRUE "intra" 63 "48" "2" "LCMSMS_1.mzML" 2 110.060356140137 32966.80859375 1.90073991338438 154.093304068608 3 3 0.891554874127874 6.04811471842163 1 TRUE TRUE TRUE TRUE TRUE "intra" 64 "48" "2" "LCMSMS_1.mzML" 8 138.054885864258 367633.15625 31.4269818261716 161.294057435481 3 3 0.891554874127874 100 1 TRUE TRUE TRUE TRUE TRUE "intra" 65 "48" NA NA 1 110.060352325439 34625.283203125 3.29507267949235 6.77377069140583 2 2 0.937209180794176 6.08202565234109 1 TRUE TRUE TRUE TRUE TRUE "inter" 66 "48" NA NA 2 110.072189331055 8668.18530273438 0.231331574124235 NA 1 2 0.954447805545062 0.306884209939177 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 67 "48" NA NA 3 138.054901123047 455046.234375 25.928198952472 27.166637425963 2 2 0.937209180794176 100 1 TRUE TRUE TRUE TRUE TRUE "inter" 68 "49" "1" "LCMSMS_2.mzML" 1 110.035133361816 4197.11962890625 1 NA 1 1 0.786277688323535 1.02653133134194 1 TRUE TRUE TRUE TRUE TRUE "intra" 69 "49" "1" "LCMSMS_2.mzML" 2 111.032066345215 2933.20043945312 0.698860337277902 NA 1 1 0.786277688323535 0.717402032447964 1 TRUE TRUE TRUE TRUE TRUE "intra" 70 "49" "1" "LCMSMS_2.mzML" 3 111.03865814209 19436.671875 4.63095493898636 NA 1 1 0.786277688323535 4.75382033890221 1 TRUE TRUE TRUE TRUE TRUE "intra" 71 "49" "1" "LCMSMS_2.mzML" 4 120.031585693359 3442.69409179688 0.820251600189444 NA 1 1 0.786277688323535 0.842013967177829 1 TRUE TRUE TRUE TRUE TRUE "intra" 72 "49" "1" "LCMSMS_2.mzML" 5 120.038940429688 10890.13671875 2.59466912588048 NA 1 1 0.786277688323535 2.66350915218193 1 TRUE TRUE TRUE TRUE TRUE "intra" 73 "49" "1" "LCMSMS_2.mzML" 6 131.267166137695 2650.74243164062 0.631562277468702 NA 1 1 0.786277688323535 0.648318465515296 1 TRUE TRUE TRUE TRUE TRUE "intra" 74 "49" "1" "LCMSMS_2.mzML" 7 138.049896240234 408864.25 97.4154387175636 NA 1 1 0.786277688323535 100 1 TRUE TRUE TRUE TRUE TRUE "intra" 75 "49" "2" "LCMSMS_1.mzML" 1 111.032066345215 4279.24560546875 0.225817337661053 NA 1 1 0.796822033254558 0.766026654858364 1 TRUE TRUE TRUE TRUE TRUE "intra" 76 "49" "2" "LCMSMS_1.mzML" 2 111.038848876953 24677.09765625 1.30221936474379 NA 1 1 0.796822033254558 4.41744090245077 1 TRUE TRUE TRUE TRUE TRUE "intra" 77 "49" "2" "LCMSMS_1.mzML" 3 120.038902282715 18950.03125 1 NA 1 1 0.796822033254558 3.39224021854404 1 TRUE TRUE TRUE TRUE TRUE "intra" 78 "49" "2" "LCMSMS_1.mzML" 4 137.396865844727 3584.59228515625 0.189160230812614 NA 1 1 0.796822033254558 0.641676942711624 1 TRUE TRUE TRUE TRUE TRUE "intra" 79 "49" "2" "LCMSMS_1.mzML" 5 138.05012512207 558628.8125 29.4790443947157 NA 1 1 0.796822033254558 100 1 TRUE TRUE TRUE TRUE TRUE "intra" 80 "49" NA NA 1 110.035133361816 4197.11962890625 1 NA 1 2 0.786277688323535 1.02653133134194 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 81 "49" NA NA 2 111.032066345215 3606.22302246094 0.462338837469477 26.3932002747712 2 2 0.791549860789046 0.741714343653164 1 TRUE TRUE TRUE TRUE TRUE "inter" 82 "49" NA NA 3 111.038753509521 22056.884765625 2.96658715186508 16.7999273043384 2 2 0.791549860789046 4.58563062067649 1 TRUE TRUE TRUE TRUE TRUE "inter" 83 "49" NA NA 4 120.031585693359 3442.69409179688 0.820251600189444 NA 1 2 0.786277688323535 0.842013967177829 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 84 "49" NA NA 5 120.038921356201 14920.083984375 1.79733456294024 38.1982171458533 2 2 0.791549860789046 3.02787468536299 1 TRUE TRUE TRUE TRUE TRUE "inter" 85 "49" NA NA 6 131.267166137695 2650.74243164062 0.631562277468702 NA 1 2 0.786277688323535 0.648318465515296 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 86 "49" NA NA 7 137.396865844727 3584.59228515625 0.189160230812614 NA 1 2 0.796822033254558 0.641676942711624 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 87 "49" NA NA 8 138.050010681152 483746.53125 63.4472415561396 21.891534281712 2 2 0.791549860789046 100 1 TRUE TRUE TRUE TRUE TRUE "inter" 88 "51" "1" "LCMSMS_2.mzML" 1 108.959754943848 2408.8056640625 0.0170069383724454 NA 1 1 1 0.0909056422771568 1 TRUE TRUE TRUE TRUE TRUE "intra" 89 "51" "1" "LCMSMS_2.mzML" 2 114.089195251465 280537.40625 1.98068380959089 NA 1 1 1 10.5871691844636 1 TRUE TRUE TRUE TRUE TRUE "intra" 90 "51" "1" "LCMSMS_2.mzML" 3 140.068115234375 2649786.75 18.7083419097287 NA 1 1 1 100 1 TRUE TRUE TRUE TRUE TRUE "intra" 91 "51" "1" "LCMSMS_2.mzML" 4 143.032638549805 2735.88037109375 0.0193161904091102 NA 1 1 1 0.103249077349102 1 TRUE TRUE TRUE TRUE TRUE "intra" 92 "51" "2" "LCMSMS_1.mzML" 1 114.089164733887 856653.625 0.195125818563966 NA 1 1 1 10.8110482476244 1 TRUE TRUE TRUE TRUE TRUE "intra" 93 "51" "2" "LCMSMS_1.mzML" 2 140.068130493164 7923872 1.80487418143603 NA 1 1 1 100 1 TRUE TRUE TRUE TRUE TRUE "intra" 94 "51" NA NA 1 108.959754943848 2408.8056640625 0.0170069383724454 NA 1 2 1 0.0909056422771568 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 95 "51" NA NA 2 114.089179992676 568595.515625 1.08790481407743 71.6459546083282 2 2 1 10.699108716044 1 TRUE TRUE TRUE TRUE TRUE "inter" 96 "51" NA NA 3 140.06812286377 5286829.375 10.2566080455824 70.5402270492406 2 2 1 100 1 TRUE TRUE TRUE TRUE TRUE "inter" 97 "51" NA NA 4 143.032638549805 2735.88037109375 0.0193161904091102 NA 1 2 1 0.103249077349102 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 98 "62" "1" "LCMSMS_2.mzML" 1 100.021820068359 11993.6435546875 1.23895301810851 NA 1 2 0.983625855342406 1.11473260223304 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 99 "62" "1" "LCMSMS_2.mzML" 2 101.070411682129 2306.69653320312 0.518099667665873 NA 1 2 1 0.175846530139216 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 100 "62" "1" "LCMSMS_2.mzML" 3 102.055847167969 2466.92114257812 0.554087200344828 NA 1 2 1 0.188060942046438 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 101 "62" "1" "LCMSMS_2.mzML" 4 108.055770874023 9930.2236328125 1.02580008187396 NA 1 2 0.983625855342406 0.922950893153297 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 102 "62" "1" "LCMSMS_2.mzML" 5 118.065433502197 12587.3408203125 1.98142883431616 15.2475229112631 2 2 0.991812927671203 1.0760813440504 1 TRUE TRUE TRUE TRUE TRUE "intra" 103 "62" "1" "LCMSMS_2.mzML" 6 125.844314575195 2225.98388671875 0.229945924450392 NA 1 2 0.983625855342406 0.206890991820497 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 104 "62" "1" "LCMSMS_2.mzML" 7 128.070991516113 7382.12426757812 1.07092590879994 44.02997102319 2 2 0.991812927671203 0.643644908381921 1 TRUE TRUE TRUE TRUE TRUE "intra" 105 "62" "1" "LCMSMS_2.mzML" 8 130.04956817627 23307.3033447266 5.04424512208074 122.340544087653 2 2 0.991812927671203 1.80306152665022 1 TRUE TRUE TRUE TRUE TRUE "intra" 106 "62" "1" "LCMSMS_2.mzML" 9 130.086532592773 3415.60205078125 0.584569429146013 16.7716095922357 2 2 0.991812927671203 0.285535648143351 1 TRUE TRUE TRUE TRUE TRUE "intra" 107 "62" "1" "LCMSMS_2.mzML" 10 146.028610229492 10309.349609375 1.06496409994433 NA 1 2 0.983625855342406 0.958188232373911 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 108 "62" "1" "LCMSMS_2.mzML" 11 146.059936523438 9525.1728515625 0.983958010644421 NA 1 2 0.983625855342406 0.885304008838241 0.5 TRUE TRUE TRUE TRUE TRUE 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0.916804554552295 2.08067276038808 1 TRUE TRUE TRUE TRUE TRUE "intra" 1857 "298" "2" "LCMSMS_1.mzML" 12 186.995223999023 44461.41796875 5.19084684180151 NA 1 1 0.916804554552295 2.58174161073241 1 TRUE TRUE TRUE TRUE TRUE "intra" 1858 "298" "2" "LCMSMS_1.mzML" 13 192.99055480957 13631.8642578125 1.59151288382812 NA 1 1 0.916804554552295 0.791561600914004 1 TRUE TRUE TRUE TRUE TRUE "intra" 1859 "298" "2" "LCMSMS_1.mzML" 14 204.922607421875 16718.0625 1.95182488309662 NA 1 1 0.916804554552295 0.970767905724725 1 TRUE TRUE TRUE TRUE TRUE "intra" 1860 "298" "2" "LCMSMS_1.mzML" 15 252.058502197266 5009.93701171875 0.584907474907416 NA 1 1 0.916804554552295 0.290912063564722 1 TRUE TRUE TRUE TRUE TRUE "intra" 1861 "298" "2" "LCMSMS_1.mzML" 16 269.085510253906 8565.349609375 1 NA 1 1 0.916804554552295 0.497364243140798 1 TRUE TRUE TRUE TRUE TRUE "intra" 1862 "298" "2" "LCMSMS_1.mzML" 17 269.111450195312 15712.990234375 1.83448323197184 NA 1 1 0.916804554552295 0.91240636422416 1 TRUE TRUE TRUE TRUE TRUE "intra" 1863 "298" "2" "LCMSMS_1.mzML" 18 273.454193115234 2715.39135742188 0.317020493179847 NA 1 1 0.916804554552295 0.157674657650517 1 TRUE TRUE TRUE TRUE TRUE "intra" 1864 "298" "2" "LCMSMS_1.mzML" 19 276.519256591797 3091.81103515625 0.36096728985495 NA 1 1 0.916804554552295 0.179532222917292 1 TRUE TRUE TRUE TRUE TRUE "intra" 1865 "298" NA NA 1 104.992702484131 2385384.125 284.069933446507 39.3210116411497 2 2 0.958402277276148 100 1 TRUE TRUE TRUE TRUE TRUE "inter" 1866 "298" NA NA 2 112.895988464355 53725.052734375 6.34724766938967 33.690924406763 2 2 0.958402277276148 2.60264855357385 1 TRUE TRUE TRUE TRUE TRUE "inter" 1867 "298" NA NA 3 113.738670349121 3244.43115234375 0.378785607162215 NA 1 2 0.916804554552295 0.188394416818863 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1868 "298" NA NA 4 115.773323059082 2838.77758789062 0.331425769799695 NA 1 2 0.916804554552295 0.164839327153782 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1869 "298" NA NA 5 123.003398895264 4121.5126953125 0.489292540853624 10.6454325103887 2 2 0.958402277276148 0.183339110913637 1 TRUE TRUE TRUE TRUE TRUE "inter" 1870 "298" NA NA 6 130.049285888672 3339.44555664062 0.402097866534155 NA 1 2 1 0.109539580421326 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1871 "298" NA NA 7 135.772277832031 3055.81420898438 0.367946221346229 NA 1 2 1 0.100235982476805 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1872 "298" NA NA 8 146.019088745117 20828.4692382812 2.48168457446847 44.0337204189562 2 2 0.958402277276148 0.864402314267566 1 TRUE TRUE TRUE TRUE TRUE "inter" 1873 "298" NA NA 9 148.2451171875 3183.01879882812 0.371615747633258 NA 1 2 0.916804554552295 0.184828385060817 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1874 "298" NA NA 10 154.949859619141 3207.18774414062 0.374437459112034 NA 1 2 0.916804554552295 0.18623180345482 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1875 "298" NA NA 11 170.042404174805 13054.3935546875 1.54525609690323 16.1122097314208 2 2 0.958402277276148 0.611906578149761 1 TRUE TRUE TRUE TRUE TRUE "inter" 1876 "298" NA NA 12 176.162475585938 3204.0498046875 0.385795057557413 NA 1 2 1 0.105098365971735 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1877 "298" NA NA 13 176.406677246094 3311.90942382812 0.398782280138536 NA 1 2 1 0.108636347718906 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1878 "298" NA NA 14 176.992706298828 5391.88793945312 0.637303940571556 29.5443067708777 2 2 0.958402277276148 0.259206660992393 1 TRUE TRUE TRUE TRUE TRUE "inter" 1879 "298" NA NA 15 186.912040710449 34291.3681640625 4.06341763033249 6.35484592311945 2 2 0.958402277276148 1.57747231049816 1 TRUE TRUE TRUE TRUE TRUE "inter" 1880 "298" NA NA 16 186.995277404785 71035.099609375 8.47189034182078 52.9046361376496 2 2 0.958402277276148 2.89173908757258 1 TRUE TRUE TRUE TRUE TRUE "inter" 1881 "298" NA NA 17 192.990707397461 8688.34057617188 1.02121046688802 80.4664386161655 2 2 0.958402277276148 0.457199030582948 1 TRUE TRUE TRUE TRUE TRUE "inter" 1882 "298" NA NA 18 204.922706604004 23608.8330078125 2.81211927525208 41.2770131591181 2 2 0.958402277276148 0.985603782090423 1 TRUE TRUE TRUE TRUE TRUE "inter" 1883 "298" NA NA 19 252.058502197266 5009.93701171875 0.584907474907416 NA 1 2 0.916804554552295 0.290912063564722 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1884 "298" NA NA 20 269.039306640625 5043.013671875 0.607222068445217 NA 1 2 1 0.165419556122934 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1885 "298" NA NA 21 269.085510253906 8565.349609375 1 NA 1 2 0.916804554552295 0.497364243140798 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1886 "298" NA NA 22 269.111618041992 15797.35546875 1.87338926135164 0.755255896355104 2 2 0.958402277276148 0.716677112991052 1 TRUE TRUE TRUE TRUE TRUE "inter" 1887 "298" NA NA 23 273.454193115234 2715.39135742188 0.317020493179847 NA 1 2 0.916804554552295 0.157674657650517 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1888 "298" NA NA 24 276.519256591797 3091.81103515625 0.36096728985495 NA 1 2 0.916804554552295 0.179532222917292 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1889 "303" "1" "LCMSMS_2.mzML" 1 100.076187133789 11787.0771484375 0.650089215063846 97.9290266241409 2 2 1 1.40321755337677 1 TRUE TRUE TRUE TRUE TRUE "intra" 1890 "303" "1" "LCMSMS_2.mzML" 2 110.071624755859 6275.3115234375 0.478595574640699 NA 1 2 1 1.10644478012651 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1891 "303" "1" "LCMSMS_2.mzML" 3 112.087253570557 252621.90625 15.1561947360495 43.0291466847301 2 2 1 33.3923605116946 1 TRUE TRUE TRUE TRUE TRUE "intra" 1892 "303" "1" "LCMSMS_2.mzML" 4 113.071655273438 4598.30322265625 0.235967154064722 NA 1 2 1 0.499562392717414 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1893 "303" "1" "LCMSMS_2.mzML" 5 114.05598449707 3411.90991210938 0.175086033456617 NA 1 2 1 0.370671918944271 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1894 "303" "1" "LCMSMS_2.mzML" 6 114.103385925293 3633.01293945312 0.186432186502884 NA 1 2 1 0.394692683132393 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1895 "303" "1" "LCMSMS_2.mzML" 7 115.086818695068 27057.41015625 1.64811054844621 32.6446087644104 2 2 1 3.64376433971986 1 TRUE TRUE TRUE TRUE TRUE "intra" 1896 "303" "1" "LCMSMS_2.mzML" 8 116.070896148682 405705.796875 24.612787796405 35.4222570911043 2 2 1 54.3659054766719 1 TRUE TRUE TRUE TRUE TRUE "intra" 1897 "303" "1" "LCMSMS_2.mzML" 9 125.071640014648 3976.06372070312 0.303240164908269 NA 1 2 1 0.701048056784357 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1898 "303" "1" "LCMSMS_2.mzML" 10 127.050193786621 6445.1923828125 0.330742369593746 NA 1 2 1 0.700209527814029 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1899 "303" "1" "LCMSMS_2.mzML" 11 128.070823669434 6600.75708007812 0.407326691481338 23.6042684235177 2 2 1 0.903188165783752 1 TRUE TRUE TRUE TRUE TRUE "intra" 1900 "303" "1" "LCMSMS_2.mzML" 12 130.097663879395 17304.2758789062 1.0552930906927 31.8180520096241 2 2 1 2.33375263190425 1 TRUE TRUE TRUE TRUE TRUE "intra" 1901 "303" "1" "LCMSMS_2.mzML" 13 138.055297851562 6954.76220703125 0.530414849132499 NA 1 2 1 1.22624355974213 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1902 "303" "1" "LCMSMS_2.mzML" 14 140.081802368164 42599.962890625 2.62649978360838 24.2176567693793 2 2 1 5.82274308286538 1 TRUE TRUE TRUE TRUE TRUE "intra" 1903 "303" "1" "LCMSMS_2.mzML" 15 141.258346557617 3243.73388671875 0.166455889646654 NA 1 2 1 0.352401175677951 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1904 "303" "1" "LCMSMS_2.mzML" 16 144.065307617188 4190.72900390625 0.215052019979016 NA 1 2 1 0.455283287562825 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1905 "303" "1" "LCMSMS_2.mzML" 17 151.12313079834 14858.5131835938 0.914409677292041 25.508279298981 2 2 1 2.02633595179132 1 TRUE TRUE TRUE TRUE TRUE "intra" 1906 "303" "1" "LCMSMS_2.mzML" 18 154.034561157227 3980.0673828125 0.20424167955709 NA 1 2 1 0.432396883950118 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1907 "303" "1" "LCMSMS_2.mzML" 19 157.108322143555 91920.54296875 5.56127983758934 37.3000506148304 2 2 1 12.2763534806015 1 TRUE TRUE TRUE TRUE TRUE "intra" 1908 "303" "1" "LCMSMS_2.mzML" 20 158.092430114746 96465.91796875 5.89989491697937 29.8242264375043 2 2 1 13.0559607314925 1 TRUE TRUE TRUE TRUE TRUE "intra" 1909 "303" "1" "LCMSMS_2.mzML" 21 167.118408203125 5790.71630859375 0.297157186286143 NA 1 2 1 0.629106858463713 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1910 "303" "1" "LCMSMS_2.mzML" 22 168.990570068359 5556.48046875 0.423772900036763 NA 1 2 1 0.979702567364431 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1911 "303" "1" "LCMSMS_2.mzML" 23 172.952041625977 5756.025390625 0.438991477822856 NA 1 2 1 1.01488575092189 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1912 "303" "1" "LCMSMS_2.mzML" 24 172.985656738281 6526.55126953125 0.497756731852613 NA 1 2 1 1.15074264559303 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1913 "303" "1" "LCMSMS_2.mzML" 25 173.092254638672 4668.1748046875 0.239552693678699 NA 1 2 1 0.507153282881094 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1914 "303" "1" "LCMSMS_2.mzML" 26 175.118911743164 419561.875 25.5031038089211 34.0789951979012 2 2 1 56.3575149361351 1 TRUE TRUE TRUE TRUE TRUE "intra" 1915 "303" "1" "LCMSMS_2.mzML" 27 181.98592376709 16487.8764648438 1.06467701372278 8.86545793220042 2 2 1 2.3841487871012 1 TRUE TRUE TRUE TRUE TRUE "intra" 1916 "303" "1" "LCMSMS_2.mzML" 28 192.11311340332 15918.8686523438 0.976736747635914 27.593672589286 2 2 1 2.16299921522838 1 TRUE TRUE TRUE TRUE TRUE "intra" 1917 "303" "1" "LCMSMS_2.mzML" 29 194.129119873047 16881.3732910156 0.919384529985345 105.764980825659 2 2 1 1.97802744267434 1 TRUE TRUE TRUE TRUE TRUE "intra" 1918 "303" "1" "LCMSMS_2.mzML" 30 195.113021850586 88153.34765625 5.3171888723081 39.3797309837892 2 2 1 11.7293635531669 1 TRUE TRUE TRUE TRUE TRUE "intra" 1919 "303" "1" "LCMSMS_2.mzML" 31 196.081298828125 3017.048828125 0.230099527684414 NA 1 2 1 0.531957324317358 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1920 "303" "1" "LCMSMS_2.mzML" 32 196.096382141113 34165.685546875 2.03936869827388 46.4868607647783 2 2 1 4.48786158667949 1 TRUE TRUE TRUE TRUE TRUE "intra" 1921 "303" "1" "LCMSMS_2.mzML" 33 199.995834350586 3417.10375976562 0.260610287059673 NA 1 2 1 0.602493852938198 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1922 "303" "1" "LCMSMS_2.mzML" 34 209.139068603516 5848.64697265625 0.300129964128317 NA 1 2 1 0.6354004802084 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1923 "303" "1" "LCMSMS_2.mzML" 35 212.139427185059 3825.76684570312 0.236864952788041 21.2919161997857 2 2 1 0.525600218105471 1 TRUE TRUE TRUE TRUE TRUE "intra" 1924 "303" "1" "LCMSMS_2.mzML" 36 213.123260498047 236411.0078125 14.2227716531499 41.1514171214218 2 2 1 31.3557697414419 1 TRUE TRUE TRUE TRUE TRUE "intra" 1925 "303" "1" "LCMSMS_2.mzML" 37 213.143768310547 5725.1005859375 0.43663295353051 NA 1 2 1 1.00943317879139 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1926 "303" "1" "LCMSMS_2.mzML" 38 226.11799621582 8838.80078125 0.45357310397025 NA 1 2 1 0.960252565615524 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1927 "303" "1" "LCMSMS_2.mzML" 39 237.134162902832 4934.0205078125 0.300928723601576 31.7495533411665 2 2 1 0.66551081285941 1 TRUE TRUE TRUE TRUE TRUE "intra" 1928 "303" "1" "LCMSMS_2.mzML" 40 238.117752075195 52792.4453125 2.70910430941786 NA 1 2 1 5.73540260846066 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1929 "303" "1" "LCMSMS_2.mzML" 41 238.11897277832 25840.982421875 1.97079934363208 NA 1 2 1 4.55620729062426 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1930 "303" "1" "LCMSMS_2.mzML" 42 254.161102294922 77688.982421875 4.69472019547613 38.1079658048751 2 2 1 10.3606538529121 1 TRUE TRUE TRUE TRUE TRUE "intra" 1931 "303" "1" "LCMSMS_2.mzML" 43 255.14493560791 202720.796875 12.2658232989967 37.2428302062405 2 2 1 27.0769428245949 1 TRUE TRUE TRUE TRUE TRUE "intra" 1932 "303" "1" "LCMSMS_2.mzML" 44 272.171401977539 743813.09375 45.2450160588049 33.5871056188655 2 2 1 100 1 TRUE TRUE TRUE TRUE TRUE "intra" 1933 "303" "2" "LCMSMS_1.mzML" 1 100.076290130615 15373.1440429688 1.00569262555867 26.4650176494211 2 2 1 2.43882042993523 1 TRUE TRUE TRUE TRUE TRUE "intra" 1934 "303" "2" "LCMSMS_1.mzML" 2 110.023941040039 4066.50732421875 0.236775609170289 NA 1 2 1 0.454856129130559 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1935 "303" "2" "LCMSMS_1.mzML" 3 110.071594238281 5312.72412109375 0.403361812145127 NA 1 2 1 1.20583733908602 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1936 "303" "2" "LCMSMS_1.mzML" 4 112.087249755859 238432.75 15.2354690712526 50.7636973934278 2 2 1 35.4673545062256 1 TRUE TRUE TRUE TRUE TRUE "intra" 1937 "303" "2" "LCMSMS_1.mzML" 5 115.086750030518 32197.478515625 2.07425067999819 42.3832755729555 2 2 1 4.89926064552626 1 TRUE TRUE TRUE TRUE TRUE "intra" 1938 "303" "2" "LCMSMS_1.mzML" 6 116.070880889893 355083.203125 22.8683361196264 42.7031313694556 2 2 1 53.9842529284807 1 TRUE TRUE TRUE TRUE TRUE "intra" 1939 "303" "2" "LCMSMS_1.mzML" 7 123.485488891602 3156.89135742188 0.23968295542002 NA 1 2 1 0.716524590295036 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1940 "303" "2" "LCMSMS_1.mzML" 8 125.071365356445 8344.171875 0.485846015070018 NA 1 2 1 0.933331091587728 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1941 "303" "2" "LCMSMS_1.mzML" 9 127.05054473877 6366.69580078125 0.370705904709398 NA 1 2 1 0.712141987313771 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1942 "303" "2" "LCMSMS_1.mzML" 10 128.070617675781 5714.35791015625 0.332723014449322 NA 1 2 1 0.639175221448696 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1943 "303" "2" "LCMSMS_1.mzML" 11 129.674026489258 3974.34008789062 0.231409098848972 NA 1 2 1 0.444546831985268 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1944 "303" "2" "LCMSMS_1.mzML" 12 130.050064086914 8027.97314453125 0.467435093594549 NA 1 2 1 0.89796291956442 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1945 "303" "2" "LCMSMS_1.mzML" 13 130.097694396973 14736.3837890625 0.966864409418694 23.3981734112227 2 2 1 2.3561978441656 1 TRUE TRUE TRUE TRUE TRUE "intra" 1946 "303" "2" "LCMSMS_1.mzML" 14 130.525375366211 2623.5224609375 0.199187601299601 NA 1 2 1 0.595465014034645 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1947 "303" "2" "LCMSMS_1.mzML" 15 134.102203369141 2664.96557617188 0.202334117038204 NA 1 2 1 0.604871422998973 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1948 "303" "2" "LCMSMS_1.mzML" 16 138.054794311523 6436.328125 0.488670015021628 NA 1 2 1 1.46086350482974 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1949 "303" "2" "LCMSMS_1.mzML" 17 140.081733703613 35041.626953125 2.30650427629151 20.0237906508685 2 2 1 5.65092503880238 1 TRUE TRUE TRUE TRUE TRUE "intra" 1950 "303" "2" "LCMSMS_1.mzML" 18 151.123085021973 15857.6005859375 1.04885138321574 14.9091074770862 2 2 1 2.590257963393 1 TRUE TRUE TRUE TRUE TRUE "intra" 1951 "303" "2" "LCMSMS_1.mzML" 19 157.1083984375 86879.818359375 5.57077781539358 47.2139438679192 2 2 1 13.0490689122403 1 TRUE TRUE TRUE TRUE TRUE "intra" 1952 "303" "2" "LCMSMS_1.mzML" 20 158.092399597168 93229.7265625 5.99557603350215 44.1902385911636 2 2 1 14.1175379899601 1 TRUE TRUE TRUE TRUE TRUE "intra" 1953 "303" "2" "LCMSMS_1.mzML" 21 167.118255615234 6129.56298828125 0.356898658918997 NA 1 2 1 0.685617674289371 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1954 "303" "2" "LCMSMS_1.mzML" 22 168.10139465332 3220.1953125 0.244489227579887 NA 1 2 1 0.730892788418095 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1955 "303" "2" "LCMSMS_1.mzML" 23 168.990631103516 13845.9501953125 1.05123613316903 NA 1 2 1 3.14263706529447 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1956 "303" "2" "LCMSMS_1.mzML" 24 172.985427856445 7066.3515625 0.536503742061003 NA 1 2 1 1.60386091409112 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1957 "303" "2" "LCMSMS_1.mzML" 25 175.118942260742 381651.3125 24.6114190903196 41.362142104604 2 2 1 58.2317732099048 1 TRUE TRUE TRUE TRUE TRUE "intra" 1958 "303" "2" "LCMSMS_1.mzML" 26 176.587432861328 2728.27294921875 0.207140648702994 NA 1 2 1 0.619240396903767 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1959 "303" "2" "LCMSMS_1.mzML" 27 181.986305236816 13435.4860839844 0.983283576593225 97.6608646813215 2 2 1 2.8101796876902 1 TRUE TRUE TRUE TRUE TRUE "intra" 1960 "303" "2" "LCMSMS_1.mzML" 28 182.080230712891 3442.48120117188 0.200441193997194 NA 1 2 1 0.385056154809848 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1961 "303" "2" "LCMSMS_1.mzML" 29 185.103530883789 4269.2392578125 0.248579836544736 NA 1 2 1 0.477532557626436 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1962 "303" "2" "LCMSMS_1.mzML" 30 192.112907409668 7351.9912109375 0.480530882967689 27.3944318849207 2 2 1 1.16355071659512 1 TRUE TRUE TRUE TRUE TRUE "intra" 1963 "303" "2" "LCMSMS_1.mzML" 31 194.128868103027 12971.6772460938 0.80375061646339 81.7110296040705 2 2 1 1.76617719344015 1 TRUE TRUE TRUE TRUE TRUE "intra" 1964 "303" "2" "LCMSMS_1.mzML" 32 195.11287689209 78120.83984375 5.05023349481855 38.8087584693483 2 2 1 12.0007437270133 1 TRUE TRUE TRUE TRUE TRUE "intra" 1965 "303" "2" "LCMSMS_1.mzML" 33 196.096473693848 27304.5727539062 1.73464746098663 56.6582538835501 2 2 1 3.99610433394919 1 TRUE TRUE TRUE TRUE TRUE "intra" 1966 "303" "2" "LCMSMS_1.mzML" 34 199.996536254883 4580.322265625 0.347755134119559 NA 1 2 1 1.03960293948044 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1967 "303" "2" "LCMSMS_1.mzML" 35 209.092132568359 3605.17626953125 0.209914243188663 NA 1 2 1 0.403254289750327 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1968 "303" "2" "LCMSMS_1.mzML" 36 209.139144897461 4868.466796875 0.283470334527644 NA 1 2 1 0.544558704920727 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1969 "303" "2" "LCMSMS_1.mzML" 37 212.139236450195 6368.39599609375 0.370804899927832 NA 1 2 1 0.712332161386249 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1970 "303" "2" "LCMSMS_1.mzML" 38 213.123268127441 211089.609375 13.5038968304035 49.5818240750502 2 2 1 31.5015460906352 1 TRUE TRUE TRUE TRUE TRUE "intra" 1971 "303" "2" "LCMSMS_1.mzML" 39 213.143600463867 4656.78369140625 0.353560370484058 NA 1 2 1 1.05695750939698 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1972 "303" "2" "LCMSMS_1.mzML" 40 223.013259887695 3245.58422851562 0.246416848690835 NA 1 2 1 0.736655350567521 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1973 "303" "2" "LCMSMS_1.mzML" 41 226.118873596191 7191.25927734375 0.465692580096032 37.0234523551092 2 2 1 1.10993003431947 1 TRUE TRUE TRUE TRUE TRUE "intra" 1974 "303" "2" "LCMSMS_1.mzML" 42 232.815322875977 2904.64306640625 0.220531325210088 NA 1 2 1 0.659271399447126 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1975 "303" "2" "LCMSMS_1.mzML" 43 238.118087768555 36539.4365234375 2.3273183571117 54.0409292284461 2 2 1 5.38657753156301 1 TRUE TRUE TRUE TRUE TRUE "intra" 1976 "303" "2" "LCMSMS_1.mzML" 44 254.160888671875 74828.216796875 4.83535694866725 39.2402328792925 2 2 1 11.4817979201974 1 TRUE TRUE TRUE TRUE TRUE "intra" 1977 "303" "2" "LCMSMS_1.mzML" 45 255.11735534668 6694.04296875 0.389765952786616 NA 1 2 1 0.748757159458511 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1978 "303" "2" "LCMSMS_1.mzML" 46 255.122634887695 4730.10205078125 0.275413937616978 NA 1 2 1 0.529082019943054 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1979 "303" "2" "LCMSMS_1.mzML" 47 255.14493560791 192567.875 12.3731491784762 45.0893526776631 2 2 1 29.0895902272769 1 TRUE TRUE TRUE TRUE TRUE "intra" 1980 "303" "2" "LCMSMS_1.mzML" 48 272.171432495117 667302.1875 42.7529100068234 48.048426450601 2 2 1 100 1 TRUE TRUE TRUE TRUE TRUE "intra" 1981 "303" NA NA 1 100.076238632202 13580.1105957031 0.827890920311256 18.6723974082653 2 2 1 1.921018991656 1 TRUE TRUE TRUE TRUE TRUE "inter" 1982 "303" NA NA 2 110.023941040039 4066.50732421875 0.236775609170289 NA 1 2 1 0.454856129130559 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1983 "303" NA NA 3 110.07160949707 5794.01782226562 0.440978693392913 11.7474971696904 2 2 1 1.15614105960626 1 TRUE TRUE TRUE TRUE TRUE "inter" 1984 "303" NA NA 4 112.087251663208 245527.328125 15.195831903651 4.08640809164122 2 2 1 34.4298575089601 1 TRUE TRUE TRUE TRUE TRUE "inter" 1985 "303" NA NA 5 113.071655273438 4598.30322265625 0.235967154064722 NA 1 2 1 0.499562392717414 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1986 "303" NA NA 6 114.05598449707 3411.90991210938 0.175086033456617 NA 1 2 1 0.370671918944271 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1987 "303" NA NA 7 114.103385925293 3633.01293945312 0.186432186502884 NA 1 2 1 0.394692683132393 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1988 "303" NA NA 8 115.086784362793 29627.4443359375 1.8611806142222 12.2676028059153 2 2 1 4.27151249262306 1 TRUE TRUE TRUE TRUE TRUE "inter" 1989 "303" NA NA 9 116.070888519287 380394.5 23.7405619580157 9.41012010475355 2 2 1 54.1750792025763 1 TRUE TRUE TRUE TRUE TRUE "inter" 1990 "303" NA NA 10 123.485488891602 3156.89135742188 0.23968295542002 NA 1 2 1 0.716524590295036 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1991 "303" NA NA 11 125.071502685547 6160.11779785156 0.394543089989143 50.1405816936945 2 2 1 0.817189574186043 1 TRUE TRUE TRUE TRUE TRUE "inter" 1992 "303" NA NA 12 127.050369262695 6405.94409179688 0.350724137151572 0.866468152997783 2 2 1 0.7061757575639 1 TRUE TRUE TRUE TRUE TRUE "inter" 1993 "303" NA NA 13 128.070720672607 6157.55749511719 0.37002485296533 10.1790176443648 2 2 1 0.771181693616224 1 TRUE TRUE TRUE TRUE TRUE "inter" 1994 "303" NA NA 14 129.674026489258 3974.34008789062 0.231409098848972 NA 1 2 1 0.444546831985268 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1995 "303" NA NA 15 130.050064086914 8027.97314453125 0.467435093594549 NA 1 2 1 0.89796291956442 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1996 "303" NA NA 16 130.097679138184 16020.3298339844 1.0110787500557 11.3341855561048 2 2 1 2.34497523803493 1 TRUE TRUE TRUE TRUE TRUE "inter" 1997 "303" NA NA 17 130.525375366211 2623.5224609375 0.199187601299601 NA 1 2 1 0.595465014034645 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1998 "303" NA NA 18 134.102203369141 2664.96557617188 0.202334117038204 NA 1 2 1 0.604871422998973 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1999 "303" NA NA 19 138.055046081543 6695.54516601562 0.509542432077064 5.47510689440496 2 2 1 1.34355353228594 1 TRUE TRUE TRUE TRUE TRUE "inter" 2000 "303" NA NA 20 140.081768035889 38820.794921875 2.46650202994995 13.7672363655816 2 2 1 5.73683406083388 1 TRUE TRUE TRUE TRUE TRUE "inter" 2001 "303" NA NA 21 141.258346557617 3243.73388671875 0.166455889646654 NA 1 2 1 0.352401175677951 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 2002 "303" NA NA 22 144.065307617188 4190.72900390625 0.215052019979016 NA 1 2 1 0.455283287562825 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 2003 "303" NA NA 23 151.123107910156 15358.0568847656 0.981630530253892 4.59994049049324 2 2 1 2.30829695759216 1 TRUE TRUE TRUE TRUE TRUE "inter" 2004 "303" NA NA 24 154.034561157227 3980.0673828125 0.20424167955709 NA 1 2 1 0.432396883950118 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 2005 "303" NA NA 25 157.108360290527 89400.1806640625 5.56602882649146 3.9869388707128 2 2 1 12.6627111964209 1 TRUE TRUE TRUE TRUE TRUE "inter" 2006 "303" NA NA 26 158.092414855957 94847.822265625 5.94773547524076 2.41263619334183 2 2 1 13.5867493607263 1 TRUE TRUE TRUE TRUE TRUE "inter" 2007 "303" NA NA 27 167.11833190918 5960.1396484375 0.32702792260257 4.02005320550485 2 2 1 0.657362266376542 1 TRUE TRUE TRUE TRUE TRUE "inter" 2008 "303" NA NA 28 168.10139465332 3220.1953125 0.244489227579887 NA 1 2 1 0.730892788418095 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 2009 "303" NA NA 29 168.990600585938 9701.21533203125 0.737504516602896 60.4206798372926 2 2 1 2.06116981632945 1 TRUE TRUE TRUE TRUE TRUE "inter" 2010 "303" NA NA 30 172.952041625977 5756.025390625 0.438991477822856 NA 1 2 1 1.01488575092189 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 2011 "303" NA NA 31 172.985542297363 6796.45141601562 0.517130236956808 5.61611382588909 2 2 1 1.37730177984207 1 TRUE TRUE TRUE TRUE TRUE "inter" 2012 "303" NA NA 32 173.092254638672 4668.1748046875 0.239552693678699 NA 1 2 1 0.507153282881094 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 2013 "303" NA NA 33 175.118927001953 400606.59375 25.0572614496203 6.69155631499049 2 2 1 57.2946440730199 1 TRUE TRUE TRUE TRUE TRUE "inter" 2014 "303" NA NA 34 176.587432861328 2728.27294921875 0.207140648702994 NA 1 2 1 0.619240396903767 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 2015 "303" NA NA 35 181.986114501953 14961.6812744141 1.023980295158 14.4259585373287 2 2 1 2.5971642373957 1 TRUE TRUE TRUE TRUE TRUE "inter" 2016 "303" NA NA 36 182.080230712891 3442.48120117188 0.200441193997194 NA 1 2 1 0.385056154809848 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 2017 "303" NA NA 37 185.103530883789 4269.2392578125 0.248579836544736 NA 1 2 1 0.477532557626436 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 2018 "303" NA NA 38 192.113010406494 11635.4299316406 0.728633815301801 52.062512240648 2 2 1 1.66327496591175 1 TRUE TRUE TRUE TRUE TRUE "inter" 2019 "303" NA NA 39 194.128993988037 14926.5252685547 0.861567573224368 18.5212066170989 2 2 1 1.87210231805725 1 TRUE TRUE TRUE TRUE TRUE "inter" 2020 "303" NA NA 40 195.112949371338 83137.09375 5.18371118356333 8.53295922017453 2 2 1 11.8650536400901 1 TRUE TRUE TRUE TRUE TRUE "inter" 2021 "303" NA NA 41 196.081298828125 3017.048828125 0.230099527684414 NA 1 2 1 0.531957324317358 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 2022 "303" NA NA 42 196.09642791748 30735.1291503906 1.88700807963025 15.7849975467968 2 2 1 4.24198296031434 1 TRUE TRUE TRUE TRUE TRUE "inter" 2023 "303" NA NA 43 199.996185302734 3998.71301269531 0.304182710589616 20.5696105442794 2 2 1 0.82104839620932 1 TRUE TRUE TRUE TRUE TRUE "inter" 2024 "303" NA NA 44 209.092132568359 3605.17626953125 0.209914243188663 NA 1 2 1 0.403254289750327 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 2025 "303" NA NA 45 209.139106750488 5358.55688476562 0.291800149327981 12.9343042163088 2 2 1 0.589979592564563 1 TRUE TRUE TRUE TRUE TRUE "inter" 2026 "303" NA NA 46 212.139331817627 5097.08142089844 0.303834926357936 35.2733293000231 2 2 1 0.61896618974586 1 TRUE TRUE TRUE TRUE TRUE "inter" 2027 "303" NA NA 47 213.123264312744 223750.30859375 13.8633342417767 8.00219345252015 2 2 1 31.4286579160386 1 TRUE TRUE TRUE TRUE TRUE "inter" 2028 "303" NA NA 48 213.143684387207 5190.94213867188 0.395096662007284 14.5525436500526 2 2 1 1.03319534409418 1 TRUE TRUE TRUE TRUE TRUE "inter" 2029 "303" NA NA 49 223.013259887695 3245.58422851562 0.246416848690835 NA 1 2 1 0.736655350567521 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 2030 "303" 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