Mercurial > repos > computational-metabolomics > mspurity_filterfragspectra
view test-data/averageFragSpectra_output_all.tsv @ 2:e94e94d8441f draft
"planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 242de155f13acd6cb88946e89b5196ac55578aa8"
| author | computational-metabolomics |
|---|---|
| date | Wed, 01 Apr 2020 11:19:15 -0400 |
| parents | 96af79da0cc6 |
| 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 "12" NA NA 1 112.050884246826 502873.46875 1.49559682565184 17.5046020693718 2 2 1 100 1 TRUE TRUE TRUE TRUE TRUE "all" 6 "12" NA NA 2 126.53768157959 2499.31469726562 0.00880634869631973 NA 1 2 1 0.442264803855417 0.5 TRUE TRUE TRUE TRUE TRUE "all" 7 "14" "1" "LCMSMS_2.mzML" 1 113.034782409668 13262784 1 NA 1 1 1 100 1 TRUE TRUE TRUE TRUE TRUE "intra" 8 "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" 9 "14" "2" "LCMSMS_1.mzML" 2 113.034805297852 7964904.5 1.98330787483505 NA 1 1 1 100 1 TRUE TRUE TRUE TRUE TRUE "intra" 10 "14" NA NA 1 112.999992370605 67035.0703125 0.0166921251649536 NA 1 2 1 0.84163055956917 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 11 "14" NA NA 2 113.03479385376 10613844.25 1.49165393741752 35.2950960285591 2 2 1 100 1 TRUE TRUE TRUE TRUE TRUE "inter" 12 "14" NA NA 1 112.999992370605 67035.0703125 0.0166921251649536 NA 1 2 1 0.84163055956917 0.5 TRUE TRUE TRUE TRUE TRUE "all" 13 "14" NA NA 2 113.03479385376 10613844.25 1.49165393741752 35.2950960285591 2 2 1 100 1 TRUE TRUE TRUE TRUE TRUE "all" 14 "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" 15 "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" 16 "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" 17 "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" 18 "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" 19 "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" 20 "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" 21 "17" NA NA 2 116.070896148682 157547.453125 19.6548353907486 7.24953254922258 2 2 1 100 1 TRUE TRUE TRUE TRUE TRUE "inter" 22 "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" 23 "17" NA NA 3 116.016609191895 4434.369140625 1 75.0366299915493 5 6 1 2.86539049089055 0.833333333333333 TRUE TRUE TRUE TRUE TRUE "all" 24 "17" NA NA 4 116.070896148682 157547.453125 19.6548353907486 126.209327379484 6 6 1 100 1 TRUE TRUE TRUE TRUE TRUE "all" 25 "17" NA NA 5 116.107261657715 6152.61499023438 0.956173791148399 62.7691199937618 4 6 0.994688094344781 4.81700933424858 0.666666666666667 TRUE TRUE TRUE TRUE TRUE "all" 26 "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" 27 "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" 28 "41" NA NA 1 132.102035522461 338114.46875 1.93796749436666 27.0651655019584 2 2 1 100 1 TRUE TRUE TRUE TRUE TRUE "inter" 29 "41" NA NA 5 132.102035522461 338114.46875 1.93796749436666 132.612605267933 6 6 1 100 1 TRUE TRUE TRUE TRUE TRUE "all" 30 "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" 31 "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" 32 "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" 33 "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" 34 "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" 35 "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" 36 "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" 37 "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" 38 "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" 39 "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" 40 "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" 41 "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" 42 "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" 43 "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" 44 "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" 45 "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" 46 "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" 47 "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" 48 "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" 49 "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" 50 "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" 51 "47" NA NA 1 104.860054016113 30638.400390625 0.416467577099884 NA 1 2 1 0.0925886204295279 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 52 "47" NA NA 2 109.06566619873 2550.77392578125 1 NA 1 2 1 0.305422285922778 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 53 "47" NA NA 3 110.028198242188 67928.296875 0.923348897310881 NA 1 2 1 0.205277926249314 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 54 "47" NA NA 4 110.035272598267 511818.559082031 12.229312593889 61.196611439802 2 2 1 4.38611729858854 1 TRUE TRUE TRUE TRUE TRUE "inter" 55 "47" NA NA 5 110.559509277344 33952.66015625 0.461518288523181 NA 1 2 1 0.102604245773278 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 56 "47" NA NA 6 112.050750732422 24920.3304443359 0.744244501329208 73.1566007463653 2 2 1 0.255270263162118 1 TRUE TRUE TRUE TRUE TRUE "inter" 57 "47" NA NA 7 119.020355224609 16488.48828125 0.084047574849974 NA 1 2 1 0.135103681148777 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 58 "47" NA NA 8 119.035472869873 376451.501953125 9.28942533432417 66.0081761639465 2 2 1 3.26640431386278 1 TRUE TRUE TRUE TRUE TRUE "inter" 59 "47" NA NA 9 127.993309020996 1960.09631347656 0.863760870096131 NA 1 2 1 0.312957948098884 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 60 "47" NA NA 10 128.04508972168 18434.0234375 0.0939646460137461 NA 1 2 1 0.151045043202728 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 61 "47" NA NA 11 128.045852661133 75962.28125 1.03255479463111 NA 1 2 1 0.229556462998942 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 62 "47" NA NA 12 136.124038696289 2269.25805664062 1 NA 1 2 1 0.362320126939825 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 63 "47" NA NA 13 137.045829772949 11689172.5 278.857129055198 62.5423058453312 2 2 1 100 1 TRUE TRUE TRUE TRUE TRUE "inter" 64 "47" NA NA 14 138.029312133789 2125.6455078125 0.833333556662203 NA 1 2 1 0.254518639811929 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 65 "47" NA NA 15 138.030548095703 43127.65234375 0.586233897612476 NA 1 2 1 0.130330884836075 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 66 "47" NA NA 16 154.112442016602 2006.76232910156 0.884325307661281 NA 1 2 1 0.320408857727935 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 67 "47" NA NA 17 159.283874511719 2343.61376953125 0.918785371703785 NA 1 2 1 0.280617528498179 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 68 "47" NA NA 4 110.035266876221 290341.673828125 13.283727458927 129.821929164576 4 4 1 4.39610206588215 1 TRUE TRUE TRUE TRUE TRUE "all" 69 "47" NA NA 6 112.050743103027 12029.1610107422 0.933419422280179 135.193058609705 4 4 1 0.257907789757246 1 TRUE TRUE TRUE TRUE TRUE "all" 70 "47" NA NA 8 119.035442352295 200743.407226562 10.2590441788969 132.761708401777 4 4 1 3.17391657883486 1 TRUE TRUE TRUE TRUE TRUE "all" 71 "47" NA NA 13 137.045837402344 6519742.5 301.707275676269 130.53812412249 4 4 1 100 1 TRUE TRUE TRUE TRUE TRUE "all" 72 "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" 73 "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" 74 "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" 75 "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" 76 "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" 77 "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" 78 "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" 79 "48" NA NA 3 138.054901123047 455046.234375 25.928198952472 27.166637425963 2 2 0.937209180794176 100 1 TRUE TRUE TRUE TRUE TRUE "inter" 80 "48" NA NA 4 110.060352325439 34625.283203125 3.29507267949235 148.32630002389 6 6 0.954447805545062 6.08202565234109 1 TRUE TRUE TRUE TRUE TRUE "all" 81 "48" NA NA 17 138.054901123047 455046.234375 25.928198952472 153.296099580211 6 6 0.954447805545062 100 1 TRUE TRUE TRUE TRUE TRUE "all" 82 "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" 83 "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" 84 "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" 85 "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" 86 "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" 87 "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" 88 "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" 89 "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" 90 "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" 91 "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" 92 "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" 93 "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" 94 "49" NA NA 1 110.035133361816 4197.11962890625 1 NA 1 2 0.786277688323535 1.02653133134194 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 95 "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" 96 "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" 97 "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" 98 "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" 99 "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" 100 "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" 101 "49" NA NA 8 138.050010681152 483746.53125 63.4472415561396 21.891534281712 2 2 0.791549860789046 100 1 TRUE TRUE TRUE TRUE TRUE "inter" 102 "49" NA NA 1 110.035133361816 4197.11962890625 1 NA 1 2 0.786277688323535 1.02653133134194 0.5 TRUE TRUE TRUE TRUE TRUE "all" 103 "49" NA NA 2 111.032066345215 3606.22302246094 0.462338837469477 26.3932002747712 2 2 0.791549860789046 0.741714343653164 1 TRUE TRUE TRUE TRUE TRUE "all" 104 "49" NA NA 3 111.038753509521 22056.884765625 2.96658715186508 16.7999273043384 2 2 0.791549860789046 4.58563062067649 1 TRUE TRUE TRUE TRUE TRUE "all" 105 "49" NA NA 4 120.031585693359 3442.69409179688 0.820251600189444 NA 1 2 0.786277688323535 0.842013967177829 0.5 TRUE TRUE TRUE TRUE TRUE "all" 106 "49" NA NA 5 120.038921356201 14920.083984375 1.79733456294024 38.1982171458533 2 2 0.791549860789046 3.02787468536299 1 TRUE TRUE TRUE TRUE TRUE "all" 107 "49" NA NA 6 131.267166137695 2650.74243164062 0.631562277468702 NA 1 2 0.786277688323535 0.648318465515296 0.5 TRUE TRUE TRUE TRUE TRUE "all" 108 "49" NA NA 7 137.396865844727 3584.59228515625 0.189160230812614 NA 1 2 0.796822033254558 0.641676942711624 0.5 TRUE TRUE TRUE TRUE TRUE "all" 109 "49" NA NA 8 138.050010681152 483746.53125 63.4472415561396 21.891534281712 2 2 0.791549860789046 100 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114.089179992676 568595.515625 1.08790481407743 71.6459546083282 2 2 1 10.699108716044 1 TRUE TRUE TRUE TRUE TRUE "inter" 118 "51" NA NA 3 140.06812286377 5286829.375 10.2566080455824 70.5402270492406 2 2 1 100 1 TRUE TRUE TRUE TRUE TRUE "inter" 119 "51" NA NA 4 143.032638549805 2735.88037109375 0.0193161904091102 NA 1 2 1 0.103249077349102 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 120 "51" NA NA 1 108.959754943848 2408.8056640625 0.0170069383724454 NA 1 2 1 0.0909056422771568 0.5 TRUE TRUE TRUE TRUE TRUE "all" 121 "51" NA NA 2 114.089179992676 568595.515625 1.08790481407743 71.6459546083282 2 2 1 10.699108716044 1 TRUE TRUE TRUE TRUE TRUE "all" 122 "51" NA NA 3 140.06812286377 5286829.375 10.2566080455824 70.5402270492406 2 2 1 100 1 TRUE TRUE TRUE TRUE TRUE "all" 123 "51" NA NA 4 143.032638549805 2735.88037109375 0.0193161904091102 NA 1 2 1 0.103249077349102 0.5 TRUE TRUE TRUE TRUE TRUE "all" 124 "62" "1" "LCMSMS_2.mzML" 1 100.021820068359 11993.6435546875 1.23895301810851 NA 1 2 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1.6821544173672 NA 1 1 0.756803098694239 2.3715993704283 1 TRUE TRUE TRUE TRUE TRUE "intra" 1804 "238" "1" "LCMSMS_2.mzML" 32 211.107360839844 5091.181640625 0.37357958647467 NA 1 1 0.756803098694239 0.526694281417322 1 TRUE TRUE TRUE TRUE TRUE "intra" 1805 "238" "1" "LCMSMS_2.mzML" 33 228.134506225586 30204.845703125 2.21636440492809 NA 1 1 0.756803098694239 3.12475975635698 1 TRUE TRUE TRUE TRUE TRUE "intra" 1806 "238" "1" "LCMSMS_2.mzML" 34 228.170013427734 5492.08544921875 0.402997016376501 NA 1 1 0.756803098694239 0.568168689185423 1 TRUE TRUE TRUE TRUE TRUE "intra" 1807 "238" "1" "LCMSMS_2.mzML" 35 229.117797851562 21251.548828125 1.55939139154002 NA 1 1 0.756803098694239 2.19852089929762 1 TRUE TRUE TRUE TRUE TRUE "intra" 1808 "238" "1" "LCMSMS_2.mzML" 36 229.153762817383 7065.13134765625 0.518423626096089 NA 1 1 0.756803098694239 0.730903853160499 1 TRUE TRUE TRUE TRUE TRUE "intra" 1809 "238" "1" "LCMSMS_2.mzML" 37 246.055068969727 24465.38671875 1.79521566867756 NA 1 1 0.756803098694239 2.53099971421311 1 TRUE TRUE TRUE TRUE TRUE "intra" 1810 "238" "1" "LCMSMS_2.mzML" 38 246.142868041992 33020.84375 2.42299607909006 NA 1 1 0.756803098694239 3.41608113761285 1 TRUE TRUE TRUE TRUE TRUE "intra" 1811 "238" "1" "LCMSMS_2.mzML" 39 246.180923461914 44765.84375 3.28481805930257 NA 1 1 0.756803098694239 4.63112801118836 1 TRUE TRUE TRUE TRUE TRUE "intra" 1812 "238" "2" "LCMSMS_1.mzML" 1 100.076126098633 13507.232421875 1.51442367925884 NA 1 1 0.750716423305217 1.34399653950727 1 TRUE TRUE TRUE TRUE TRUE "intra" 1813 "238" "2" "LCMSMS_1.mzML" 2 101.071449279785 79448.5546875 8.90772948474509 NA 1 1 0.750716423305217 7.90528949482838 1 TRUE TRUE TRUE TRUE TRUE "intra" 1814 "238" "2" "LCMSMS_1.mzML" 3 101.10791015625 12414.9365234375 1.3919560469797 NA 1 1 0.750716423305217 1.23531092118323 1 TRUE TRUE TRUE TRUE TRUE "intra" 1815 "238" "2" "LCMSMS_1.mzML" 4 102.055488586426 7000.93603515625 0.784941206123507 NA 1 1 0.750716423305217 0.696607085054925 1 TRUE TRUE TRUE TRUE TRUE "intra" 1816 "238" "2" "LCMSMS_1.mzML" 5 105.111312866211 3550.4013671875 0.398069103529598 NA 1 1 0.750716423305217 0.353272010307163 1 TRUE TRUE TRUE TRUE TRUE "intra" 1817 "238" "2" "LCMSMS_1.mzML" 6 111.055686950684 4715.681640625 0.528719704922151 NA 1 1 0.750716423305217 0.469219719367068 1 TRUE TRUE TRUE TRUE TRUE "intra" 1818 "238" "2" "LCMSMS_1.mzML" 7 112.087326049805 31429.337890625 3.5238405646967 NA 1 1 0.750716423305217 3.12728174393411 1 TRUE TRUE TRUE TRUE TRUE "intra" 1819 "238" "2" "LCMSMS_1.mzML" 8 116.071029663086 5825.57421875 0.653160267522081 NA 1 1 0.750716423305217 0.579656242381879 1 TRUE TRUE TRUE TRUE TRUE "intra" 1820 "238" "2" "LCMSMS_1.mzML" 9 117.074378967285 4742.4384765625 0.531719667065408 NA 1 1 0.750716423305217 0.471882077856578 1 TRUE TRUE TRUE TRUE TRUE "intra" 1821 "238" "2" "LCMSMS_1.mzML" 10 117.10237121582 36997.4921875 4.14813904817417 NA 1 1 0.750716423305217 3.68132419117318 1 TRUE TRUE TRUE TRUE TRUE "intra" 1822 "238" "2" "LCMSMS_1.mzML" 11 118.086387634277 61979.0078125 6.949053226937 NA 1 1 0.750716423305217 6.16703477221506 1 TRUE TRUE TRUE TRUE TRUE "intra" 1823 "238" "2" "LCMSMS_1.mzML" 12 127.533218383789 3126.70092773438 0.350564036734344 NA 1 1 0.750716423305217 0.311112972346842 1 TRUE TRUE TRUE TRUE TRUE "intra" 1824 "238" "2" "LCMSMS_1.mzML" 13 129.102493286133 119557.765625 13.4047527758943 NA 1 1 0.750716423305217 11.8962359018114 1 TRUE TRUE TRUE TRUE TRUE "intra" 1825 "238" "2" "LCMSMS_1.mzML" 14 129.113388061523 17992.248046875 2.01728123380464 NA 1 1 0.750716423305217 1.79026453071129 1 TRUE TRUE TRUE TRUE TRUE "intra" 1826 "238" "2" "LCMSMS_1.mzML" 15 130.049987792969 894460.25 100.286405123378 NA 1 1 0.750716423305217 89.0005771115567 1 TRUE TRUE TRUE TRUE TRUE "intra" 1827 "238" "2" "LCMSMS_1.mzML" 16 130.086349487305 163269.09375 18.3056435207034 NA 1 1 0.750716423305217 16.2456001462679 1 TRUE TRUE TRUE TRUE TRUE "intra" 1828 "238" "2" "LCMSMS_1.mzML" 17 130.096298217773 5541.70068359375 0.621332518496359 NA 1 1 0.750716423305217 0.551410260008035 1 TRUE TRUE TRUE TRUE TRUE "intra" 1829 "238" "2" "LCMSMS_1.mzML" 18 138.091659545898 4977.36181640625 0.558059146357537 NA 1 1 0.750716423305217 0.495257418262223 1 TRUE TRUE TRUE TRUE TRUE "intra" 1830 "238" "2" "LCMSMS_1.mzML" 19 138.102569580078 10837.1796875 1.21505879387649 NA 1 1 0.750716423305217 1.07832097228372 1 TRUE TRUE TRUE TRUE TRUE "intra" 1831 "238" "2" "LCMSMS_1.mzML" 20 144.558670043945 3019.34936523438 0.338527836928369 NA 1 1 0.750716423305217 0.300431277977162 1 TRUE TRUE TRUE TRUE TRUE "intra" 1832 "238" "2" "LCMSMS_1.mzML" 21 147.076416015625 1005005 112.680623405031 NA 1 1 0.750716423305217 100 1 TRUE TRUE TRUE TRUE TRUE "intra" 1833 "238" "2" "LCMSMS_1.mzML" 22 147.112762451172 190010.625 21.3038897105782 NA 1 1 0.750716423305217 18.9064357888767 1 TRUE TRUE TRUE TRUE TRUE "intra" 1834 "238" "2" "LCMSMS_1.mzML" 23 156.300552368164 3563.12890625 0.399496108406165 NA 1 1 0.750716423305217 0.354538425803852 1 TRUE TRUE TRUE TRUE TRUE "intra" 1835 "238" "2" "LCMSMS_1.mzML" 24 158.09245300293 3216.63720703125 0.360647644296397 NA 1 1 0.750716423305217 0.320061811337381 1 TRUE TRUE TRUE TRUE TRUE "intra" 1836 "238" "2" "LCMSMS_1.mzML" 25 171.076248168945 3413.69702148438 0.382741885360529 NA 1 1 0.750716423305217 0.339669655522547 1 TRUE TRUE TRUE TRUE TRUE "intra" 1837 "238" "2" "LCMSMS_1.mzML" 26 177.550689697266 3003.36254882812 0.336735403618169 NA 1 1 0.750716423305217 0.29884055789057 1 TRUE TRUE TRUE TRUE TRUE "intra" 1838 "238" "2" "LCMSMS_1.mzML" 27 183.11262512207 28672.052734375 3.21469522680117 NA 1 1 0.750716423305217 2.85292637692101 1 TRUE TRUE TRUE TRUE TRUE "intra" 1839 "238" "2" "LCMSMS_1.mzML" 28 190.794464111328 3111.716796875 0.348884023991704 NA 1 1 0.750716423305217 0.309622021470042 1 TRUE TRUE TRUE TRUE TRUE "intra" 1840 "238" "2" "LCMSMS_1.mzML" 29 194.081283569336 3054.80810546875 0.342503451930052 NA 1 1 0.750716423305217 0.303959493282994 1 TRUE TRUE TRUE TRUE TRUE "intra" 1841 "238" "2" "LCMSMS_1.mzML" 30 200.048919677734 17289.095703125 1.93844416887217 NA 1 1 0.750716423305217 1.72029947145785 1 TRUE TRUE TRUE TRUE TRUE "intra" 1842 "238" "2" "LCMSMS_1.mzML" 31 211.143585205078 4624.5439453125 0.518501395238607 NA 1 1 0.750716423305217 0.460151337089119 1 TRUE TRUE TRUE TRUE TRUE "intra" 1843 "238" "2" "LCMSMS_1.mzML" 32 214.018432617188 2903.59130859375 0.325549105492784 NA 1 1 0.750716423305217 0.28891312069032 1 TRUE TRUE TRUE TRUE TRUE "intra" 1844 "238" "2" "LCMSMS_1.mzML" 33 228.133575439453 33692.7421875 3.77761224462814 NA 1 1 0.750716423305217 3.35249498136825 1 TRUE TRUE TRUE TRUE TRUE "intra" 1845 "238" "2" "LCMSMS_1.mzML" 34 229.118698120117 35895.65234375 4.02460135384802 NA 1 1 0.750716423305217 3.57168893127397 1 TRUE TRUE TRUE TRUE TRUE "intra" 1846 "238" "2" "LCMSMS_1.mzML" 35 229.154357910156 6166.2578125 0.69135752995124 NA 1 1 0.750716423305217 0.613554938781399 1 TRUE TRUE TRUE TRUE TRUE "intra" 1847 "238" "2" "LCMSMS_1.mzML" 36 246.05500793457 10908.7216796875 1.22308004379995 NA 1 1 0.750716423305217 1.08543954305576 1 TRUE TRUE TRUE TRUE TRUE "intra" 1848 "238" "2" "LCMSMS_1.mzML" 37 246.14274597168 40747.77734375 4.56861901529163 NA 1 1 0.750716423305217 4.05448503676599 1 TRUE TRUE TRUE TRUE TRUE "intra" 1849 "238" "2" "LCMSMS_1.mzML" 38 246.180313110352 44600.65625 5.00060173882072 NA 1 1 0.750716423305217 4.43785416490465 1 TRUE TRUE TRUE TRUE TRUE "intra" 1850 "238" "2" "LCMSMS_1.mzML" 39 246.202621459961 5074.580078125 0.568959205896367 NA 1 1 0.750716423305217 0.504930829013288 1 TRUE TRUE TRUE TRUE TRUE "intra" 1851 "238" "2" "LCMSMS_1.mzML" 40 262.875 3137.12841796875 0.351733161365723 NA 1 1 0.750716423305217 0.312150528402222 1 TRUE TRUE TRUE TRUE TRUE "intra" 1852 "238" NA NA 1 100.075996398926 13907.2685546875 1.28213093955641 4.06791975173326 2 2 0.753759760999728 1.4120598206195 1 TRUE TRUE TRUE TRUE TRUE "inter" 1853 "238" NA NA 2 101.071376800537 78530.54296875 7.30138221241001 1.65319705428537 2 2 0.753759760999728 7.96724089239479 1 TRUE TRUE TRUE TRUE TRUE "inter" 1854 "238" NA NA 3 101.107837677002 13021.5205078125 1.19597802348985 6.58785812998381 2 2 0.753759760999728 1.32258461154916 1 TRUE TRUE TRUE TRUE TRUE "inter" 1855 "238" NA NA 4 102.055397033691 10497.6481933594 0.905908123282741 47.1067201601777 2 2 0.753759760999728 1.07217769292572 1 TRUE TRUE TRUE TRUE TRUE "inter" 1856 "238" NA NA 5 105.111312866211 3550.4013671875 0.398069103529598 NA 1 2 0.750716423305217 0.353272010307163 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1857 "238" NA NA 6 111.054954528809 3121.79370117188 0.229070279213187 NA 1 2 0.756803098694239 0.32295663487072 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1858 "238" NA NA 7 111.055686950684 4715.681640625 0.528719704922151 NA 1 2 0.750716423305217 0.469219719367068 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1859 "238" NA NA 8 112.087310791016 33766.8388671875 3.08654836486882 9.78985802051888 2 2 0.753759760999728 3.43117877105842 1 TRUE TRUE TRUE TRUE TRUE "inter" 1860 "238" NA NA 9 116.070816040039 5874.92333984375 0.543935102837396 1.18793373640565 2 2 0.753759760999728 0.596267828805737 1 TRUE TRUE TRUE TRUE TRUE "inter" 1861 "238" NA NA 10 117.074378967285 4742.4384765625 0.531719667065408 NA 1 2 0.750716423305217 0.471882077856578 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1862 "238" NA NA 11 117.102447509766 34718.7734375 3.26425905873942 9.28199542211684 2 2 0.753759760999728 3.51866069186864 1 TRUE TRUE TRUE TRUE TRUE "inter" 1863 "238" NA NA 12 118.086410522461 60193.091796875 5.61742094681958 4.19594105429773 2 2 0.753759760999728 6.10469475210937 1 TRUE TRUE TRUE TRUE TRUE "inter" 1864 "238" NA NA 13 127.533218383789 3126.70092773438 0.350564036734344 NA 1 2 0.750716423305217 0.311112972346842 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1865 "238" NA NA 14 129.102493286133 114568.01953125 10.7226813944254 6.15928129634348 2 2 0.753759760999728 11.6161783405199 1 TRUE TRUE TRUE TRUE TRUE "inter" 1866 "238" NA NA 15 129.113304138184 16345.7446289062 1.54793943205905 14.2453434643 2 2 0.753759760999728 1.65546717711733 1 TRUE TRUE TRUE TRUE TRUE "inter" 1867 "238" NA NA 16 130.049964904785 912668.53125 84.296037720593 2.82144035973123 2 2 0.753759760999728 92.650946738497 1 TRUE TRUE TRUE TRUE TRUE "inter" 1868 "238" NA NA 17 130.08634185791 160788.3125 14.9609490513023 2.18197108638159 2 2 0.753759760999728 16.3114365528602 1 TRUE TRUE TRUE TRUE TRUE "inter" 1869 "238" NA NA 18 130.096298217773 5541.70068359375 0.621332518496359 NA 1 2 0.750716423305217 0.551410260008035 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1870 "238" NA NA 19 137.720031738281 2940.19921875 0.215745279942307 NA 1 2 0.756803098694239 0.304170274025657 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1871 "238" NA NA 20 138.091659545898 3917.65002441406 0.383884149031934 38.2540242008012 2 2 0.753759760999728 0.395458803391483 1 TRUE TRUE TRUE TRUE TRUE "inter" 1872 "238" NA NA 21 138.102615356445 11640.97265625 1.06411400971892 9.76494792414167 2 2 0.753759760999728 1.18288009299738 1 TRUE TRUE TRUE TRUE TRUE "inter" 1873 "238" NA NA 22 144.558670043945 3019.34936523438 0.338527836928369 NA 1 2 0.750716423305217 0.300431277977162 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1874 "238" NA NA 23 147.076385498047 985817.1875 91.8048686243582 2.75260616408882 2 2 0.753759760999728 100 1 TRUE TRUE TRUE TRUE TRUE "inter" 1875 "238" NA NA 24 147.112739562988 188613.15625 17.5206802545269 1.04781622795339 2 2 0.753759760999728 19.1371615207118 1 TRUE TRUE TRUE TRUE TRUE "inter" 1876 "238" NA NA 25 156.300552368164 3563.12890625 0.399496108406165 NA 1 2 0.750716423305217 0.354538425803852 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1877 "238" NA NA 26 158.09228515625 3452.87084960938 0.315672963853941 9.67556667404974 2 2 0.753759760999728 0.350854016759614 1 TRUE TRUE TRUE TRUE TRUE "inter" 1878 "238" NA NA 27 162.474563598633 2948.10424804688 0.216325333412062 NA 1 2 0.756803098694239 0.304988067225546 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1879 "238" NA NA 28 171.07585144043 4631.97448730469 0.406010181632341 37.1958981988944 2 2 0.753759760999728 0.472445740714597 1 TRUE TRUE TRUE TRUE TRUE "inter" 1880 "238" NA NA 29 172.887664794922 3349.94604492188 0.245811590807972 NA 1 2 0.756803098694239 0.346559512007575 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1881 "238" NA NA 30 173.957077026367 3202.59350585938 0.234999189189906 NA 1 2 0.756803098694239 0.331315557822705 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1882 "238" NA NA 31 175.118850708008 4633.72509765625 0.340012442692423 NA 1 2 0.756803098694239 0.479369365084343 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1883 "238" NA NA 32 175.700073242188 2696.47802734375 0.197861560930175 NA 1 2 0.756803098694239 0.278956764307287 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1884 "238" NA NA 33 177.550689697266 3003.36254882812 0.336735403618169 NA 1 2 0.750716423305217 0.29884055789057 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1885 "238" NA NA 34 182.128219604492 12645.0830078125 0.927868069624904 NA 1 2 0.756803098694239 1.3081625010426 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1886 "238" NA NA 35 183.112503051758 32286.9091796875 2.92454347308823 15.8335967761477 2 2 0.753759760999728 3.28352270648933 1 TRUE TRUE TRUE TRUE TRUE "inter" 1887 "238" NA NA 36 184.344192504883 2776.12524414062 0.203705896570728 NA 1 2 0.756803098694239 0.287196449429299 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1888 "238" NA NA 37 190.794464111328 3111.716796875 0.348884023991704 NA 1 2 0.750716423305217 0.309622021470042 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1889 "238" NA NA 38 194.080947875977 3669.88256835938 0.328462034768661 23.7023019425424 2 2 0.753759760999728 0.373624005654937 1 TRUE TRUE TRUE TRUE TRUE "inter" 1890 "238" NA NA 39 196.987716674805 2927.38989257812 0.214805360074564 NA 1 2 0.756803098694239 0.302845120196986 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1891 "238" NA NA 40 200.047790527344 22924.576171875 1.6821544173672 NA 1 2 0.756803098694239 2.3715993704283 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1892 "238" NA NA 41 200.048919677734 17289.095703125 1.93844416887217 NA 1 2 0.750716423305217 1.72029947145785 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1893 "238" NA NA 42 211.107360839844 5091.181640625 0.37357958647467 NA 1 2 0.756803098694239 0.526694281417322 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1894 "238" NA NA 43 211.143585205078 4624.5439453125 0.518501395238607 NA 1 2 0.750716423305217 0.460151337089119 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1895 "238" NA NA 44 214.018432617188 2903.59130859375 0.325549105492784 NA 1 2 0.750716423305217 0.28891312069032 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1896 "238" NA NA 45 228.13404083252 31948.7939453125 2.99698832477812 7.71958797693563 2 2 0.753759760999728 3.23862736886262 1 TRUE TRUE TRUE TRUE TRUE "inter" 1897 "238" NA NA 46 228.170013427734 5492.08544921875 0.402997016376501 NA 1 2 0.756803098694239 0.568168689185423 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1898 "238" NA NA 47 229.11824798584 28573.6005859375 2.79199637269402 36.2395522018754 2 2 0.753759760999728 2.8851049152858 1 TRUE TRUE TRUE TRUE TRUE "inter" 1899 "238" NA NA 48 229.15406036377 6615.69458007812 0.604890578023665 9.60745035074765 2 2 0.753759760999728 0.672229395970949 1 TRUE TRUE TRUE TRUE TRUE "inter" 1900 "238" NA NA 49 246.055038452148 17687.0541992188 1.50914785623875 54.1978877399443 2 2 0.753759760999728 1.80821962863443 1 TRUE TRUE TRUE TRUE TRUE "inter" 1901 "238" NA NA 50 246.142807006836 36884.310546875 3.49580754719085 14.8132554490209 2 2 0.753759760999728 3.73528308718942 1 TRUE TRUE TRUE TRUE TRUE "inter" 1902 "238" NA NA 51 246.180618286133 44683.25 4.14270989906164 0.261407130003419 2 2 0.753759760999728 4.53449108804651 1 TRUE TRUE TRUE TRUE TRUE "inter" 1903 "238" NA NA 52 246.202621459961 5074.580078125 0.568959205896367 NA 1 2 0.750716423305217 0.504930829013288 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1904 "238" NA NA 53 262.875 3137.12841796875 0.351733161365723 NA 1 2 0.750716423305217 0.312150528402222 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1905 "238" NA NA 1 100.075996398926 13907.2685546875 1.28213093955641 4.06791975173326 2 2 0.753759760999728 1.4120598206195 1 TRUE TRUE TRUE TRUE TRUE "all" 1906 "238" NA NA 2 101.071376800537 78530.54296875 7.30138221241001 1.65319705428537 2 2 0.753759760999728 7.96724089239479 1 TRUE TRUE TRUE TRUE TRUE "all" 1907 "238" NA NA 3 101.107837677002 13021.5205078125 1.19597802348985 6.58785812998381 2 2 0.753759760999728 1.32258461154916 1 TRUE TRUE TRUE TRUE TRUE "all" 1908 "238" NA NA 4 102.055397033691 10497.6481933594 0.905908123282741 47.1067201601777 2 2 0.753759760999728 1.07217769292572 1 TRUE TRUE TRUE TRUE TRUE "all" 1909 "238" NA NA 5 105.111312866211 3550.4013671875 0.398069103529598 NA 1 2 0.750716423305217 0.353272010307163 0.5 TRUE TRUE TRUE TRUE TRUE "all" 1910 "238" NA NA 6 111.054954528809 3121.79370117188 0.229070279213187 NA 1 2 0.756803098694239 0.32295663487072 0.5 TRUE TRUE TRUE TRUE TRUE "all" 1911 "238" NA NA 7 111.055686950684 4715.681640625 0.528719704922151 NA 1 2 0.750716423305217 0.469219719367068 0.5 TRUE TRUE TRUE TRUE TRUE "all" 1912 "238" NA NA 8 112.087310791016 33766.8388671875 3.08654836486882 9.78985802051888 2 2 0.753759760999728 3.43117877105842 1 TRUE TRUE TRUE TRUE TRUE "all" 1913 "238" NA NA 9 116.070816040039 5874.92333984375 0.543935102837396 1.18793373640565 2 2 0.753759760999728 0.596267828805737 1 TRUE TRUE TRUE TRUE TRUE "all" 1914 "238" NA NA 10 117.074378967285 4742.4384765625 0.531719667065408 NA 1 2 0.750716423305217 0.471882077856578 0.5 TRUE TRUE TRUE TRUE TRUE "all" 1915 "238" NA NA 11 117.102447509766 34718.7734375 3.26425905873942 9.28199542211684 2 2 0.753759760999728 3.51866069186864 1 TRUE TRUE TRUE TRUE TRUE "all" 1916 "238" NA NA 12 118.086410522461 60193.091796875 5.61742094681958 4.19594105429773 2 2 0.753759760999728 6.10469475210937 1 TRUE TRUE TRUE TRUE TRUE "all" 1917 "238" NA NA 13 127.533218383789 3126.70092773438 0.350564036734344 NA 1 2 0.750716423305217 0.311112972346842 0.5 TRUE TRUE TRUE TRUE TRUE "all" 1918 "238" NA NA 14 129.102493286133 114568.01953125 10.7226813944254 6.15928129634348 2 2 0.753759760999728 11.6161783405199 1 TRUE TRUE TRUE TRUE TRUE "all" 1919 "238" NA NA 15 129.113304138184 16345.7446289062 1.54793943205905 14.2453434643 2 2 0.753759760999728 1.65546717711733 1 TRUE TRUE TRUE TRUE TRUE "all" 1920 "238" NA NA 16 130.049964904785 912668.53125 84.296037720593 2.82144035973123 2 2 0.753759760999728 92.650946738497 1 TRUE TRUE TRUE TRUE TRUE "all" 1921 "238" NA NA 17 130.08634185791 160788.3125 14.9609490513023 2.18197108638159 2 2 0.753759760999728 16.3114365528602 1 TRUE TRUE TRUE TRUE TRUE "all" 1922 "238" NA NA 18 130.096298217773 5541.70068359375 0.621332518496359 NA 1 2 0.750716423305217 0.551410260008035 0.5 TRUE TRUE TRUE TRUE TRUE "all" 1923 "238" NA NA 19 137.720031738281 2940.19921875 0.215745279942307 NA 1 2 0.756803098694239 0.304170274025657 0.5 TRUE TRUE TRUE TRUE TRUE "all" 1924 "238" NA NA 20 138.091659545898 3917.65002441406 0.383884149031934 38.2540242008012 2 2 0.753759760999728 0.395458803391483 1 TRUE TRUE TRUE TRUE TRUE "all" 1925 "238" NA NA 21 138.102615356445 11640.97265625 1.06411400971892 9.76494792414167 2 2 0.753759760999728 1.18288009299738 1 TRUE TRUE TRUE TRUE TRUE "all" 1926 "238" NA NA 22 144.558670043945 3019.34936523438 0.338527836928369 NA 1 2 0.750716423305217 0.300431277977162 0.5 TRUE TRUE TRUE TRUE TRUE "all" 1927 "238" NA NA 23 147.076385498047 985817.1875 91.8048686243582 2.75260616408882 2 2 0.753759760999728 100 1 TRUE TRUE TRUE TRUE TRUE "all" 1928 "238" NA NA 24 147.112739562988 188613.15625 17.5206802545269 1.04781622795339 2 2 0.753759760999728 19.1371615207118 1 TRUE TRUE TRUE TRUE TRUE "all" 1929 "238" NA NA 25 156.300552368164 3563.12890625 0.399496108406165 NA 1 2 0.750716423305217 0.354538425803852 0.5 TRUE TRUE TRUE TRUE TRUE "all" 1930 "238" NA NA 26 158.09228515625 3452.87084960938 0.315672963853941 9.67556667404974 2 2 0.753759760999728 0.350854016759614 1 TRUE TRUE TRUE TRUE TRUE "all" 1931 "238" NA NA 27 162.474563598633 2948.10424804688 0.216325333412062 NA 1 2 0.756803098694239 0.304988067225546 0.5 TRUE TRUE TRUE TRUE TRUE "all" 1932 "238" NA NA 28 171.07585144043 4631.97448730469 0.406010181632341 37.1958981988944 2 2 0.753759760999728 0.472445740714597 1 TRUE TRUE TRUE TRUE TRUE "all" 1933 "238" NA NA 29 172.887664794922 3349.94604492188 0.245811590807972 NA 1 2 0.756803098694239 0.346559512007575 0.5 TRUE TRUE TRUE TRUE TRUE "all" 1934 "238" NA NA 30 173.957077026367 3202.59350585938 0.234999189189906 NA 1 2 0.756803098694239 0.331315557822705 0.5 TRUE TRUE TRUE TRUE TRUE "all" 1935 "238" NA NA 31 175.118850708008 4633.72509765625 0.340012442692423 NA 1 2 0.756803098694239 0.479369365084343 0.5 TRUE TRUE TRUE TRUE TRUE "all" 1936 "238" NA NA 32 175.700073242188 2696.47802734375 0.197861560930175 NA 1 2 0.756803098694239 0.278956764307287 0.5 TRUE TRUE TRUE TRUE TRUE "all" 1937 "238" NA NA 33 177.550689697266 3003.36254882812 0.336735403618169 NA 1 2 0.750716423305217 0.29884055789057 0.5 TRUE TRUE TRUE TRUE TRUE "all" 1938 "238" NA NA 34 182.128219604492 12645.0830078125 0.927868069624904 NA 1 2 0.756803098694239 1.3081625010426 0.5 TRUE TRUE TRUE TRUE TRUE "all" 1939 "238" NA NA 35 183.112503051758 32286.9091796875 2.92454347308823 15.8335967761477 2 2 0.753759760999728 3.28352270648933 1 TRUE TRUE TRUE TRUE TRUE "all" 1940 "238" NA NA 36 184.344192504883 2776.12524414062 0.203705896570728 NA 1 2 0.756803098694239 0.287196449429299 0.5 TRUE TRUE TRUE TRUE TRUE "all" 1941 "238" NA NA 37 190.794464111328 3111.716796875 0.348884023991704 NA 1 2 0.750716423305217 0.309622021470042 0.5 TRUE TRUE TRUE TRUE TRUE "all" 1942 "238" NA NA 38 194.080947875977 3669.88256835938 0.328462034768661 23.7023019425424 2 2 0.753759760999728 0.373624005654937 1 TRUE TRUE TRUE TRUE TRUE "all" 1943 "238" NA NA 39 196.987716674805 2927.38989257812 0.214805360074564 NA 1 2 0.756803098694239 0.302845120196986 0.5 TRUE TRUE TRUE TRUE TRUE "all" 1944 "238" NA NA 40 200.047790527344 22924.576171875 1.6821544173672 NA 1 2 0.756803098694239 2.3715993704283 0.5 TRUE TRUE TRUE TRUE TRUE "all" 1945 "238" NA NA 41 200.048919677734 17289.095703125 1.93844416887217 NA 1 2 0.750716423305217 1.72029947145785 0.5 TRUE TRUE TRUE TRUE TRUE "all" 1946 "238" NA NA 42 211.107360839844 5091.181640625 0.37357958647467 NA 1 2 0.756803098694239 0.526694281417322 0.5 TRUE TRUE TRUE TRUE TRUE "all" 1947 "238" NA NA 43 211.143585205078 4624.5439453125 0.518501395238607 NA 1 2 0.750716423305217 0.460151337089119 0.5 TRUE TRUE TRUE TRUE TRUE "all" 1948 "238" NA NA 44 214.018432617188 2903.59130859375 0.325549105492784 NA 1 2 0.750716423305217 0.28891312069032 0.5 TRUE TRUE TRUE TRUE TRUE "all" 1949 "238" NA NA 45 228.13404083252 31948.7939453125 2.99698832477812 7.71958797693563 2 2 0.753759760999728 3.23862736886262 1 TRUE TRUE TRUE TRUE TRUE "all" 1950 "238" NA NA 46 228.170013427734 5492.08544921875 0.402997016376501 NA 1 2 0.756803098694239 0.568168689185423 0.5 TRUE TRUE TRUE TRUE TRUE "all" 1951 "238" NA NA 47 229.11824798584 28573.6005859375 2.79199637269402 36.2395522018754 2 2 0.753759760999728 2.8851049152858 1 TRUE TRUE TRUE TRUE TRUE "all" 1952 "238" NA NA 48 229.15406036377 6615.69458007812 0.604890578023665 9.60745035074765 2 2 0.753759760999728 0.672229395970949 1 TRUE TRUE TRUE TRUE TRUE "all" 1953 "238" NA NA 49 246.055038452148 17687.0541992188 1.50914785623875 54.1978877399443 2 2 0.753759760999728 1.80821962863443 1 TRUE TRUE TRUE TRUE TRUE "all" 1954 "238" NA NA 50 246.142807006836 36884.310546875 3.49580754719085 14.8132554490209 2 2 0.753759760999728 3.73528308718942 1 TRUE TRUE TRUE TRUE TRUE "all" 1955 "238" NA NA 51 246.180618286133 44683.25 4.14270989906164 0.261407130003419 2 2 0.753759760999728 4.53449108804651 1 TRUE TRUE TRUE TRUE TRUE "all" 1956 "238" NA NA 52 246.202621459961 5074.580078125 0.568959205896367 NA 1 2 0.750716423305217 0.504930829013288 0.5 TRUE TRUE TRUE TRUE TRUE "all" 1957 "238" NA NA 53 262.875 3137.12841796875 0.351733161365723 NA 1 2 0.750716423305217 0.312150528402222 0.5 TRUE TRUE TRUE TRUE TRUE "all" 1958 "241" "1" "LCMSMS_2.mzML" 32 138.091659545898 13378.8500976562 0.766482568694901 107.100076151978 2 3 0.839426376976695 3.46834893212612 0.666666666666667 TRUE TRUE TRUE TRUE TRUE "intra" 1959 "241" "1" "LCMSMS_2.mzML" 54 183.112693786621 61367.470703125 4.41604754241984 34.4542197939379 2 3 0.839426376976695 22.695957648594 0.666666666666667 TRUE TRUE TRUE TRUE TRUE "intra" 1960 "241" "1" "LCMSMS_2.mzML" 66 229.118995666504 14858.046875 1.05344026308916 24.2222080154709 2 3 0.839426376976695 5.37627601596726 0.666666666666667 TRUE TRUE TRUE TRUE TRUE "intra" 1961 "241" "1" "LCMSMS_2.mzML" 69 247.129051208496 17786.4794921875 1.20261085216731 7.49029402251956 2 3 0.839426376976695 5.99521526118054 0.666666666666667 TRUE TRUE TRUE TRUE TRUE "intra" 1962 "241" "2" "LCMSMS_1.mzML" 42 155.117858886719 15192.2561035156 0.794345186506353 104.857194599622 2 3 0.898059732119344 2.97252290156415 0.666666666666667 TRUE TRUE TRUE TRUE TRUE "intra" 1963 "241" "2" "LCMSMS_1.mzML" 56 183.112770080566 74141.34765625 4.49984996937805 1.93285642896338 2 3 0.898059732119344 23.1130144432809 0.666666666666667 TRUE TRUE TRUE TRUE TRUE "intra" 1964 "241" "2" "LCMSMS_1.mzML" 67 229.11840057373 15723.8720703125 0.972866342467994 12.502815554993 2 3 0.898059732119344 5.15780267821845 0.666666666666667 TRUE TRUE TRUE TRUE TRUE "intra" 1965 "241" "2" "LCMSMS_1.mzML" 73 247.128791809082 21589.623046875 1.28553069009648 15.9995195541282 2 3 0.898059732119344 6.38788647513742 0.666666666666667 TRUE TRUE TRUE TRUE TRUE "intra" 1966 "241" NA NA 1 138.091659545898 13378.8500976562 0.766482568694901 NA 1 2 0.839426376976695 3.46834893212612 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1967 "241" NA NA 2 155.117858886719 15192.2561035156 0.794345186506353 NA 1 2 0.898059732119344 2.97252290156415 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1968 "241" NA NA 3 183.112731933594 67754.4091796875 4.45794875589895 13.3312283657329 2 2 0.868743054548019 22.9044860459374 1 TRUE TRUE TRUE TRUE TRUE "inter" 1969 "241" NA NA 4 229.118698120117 15290.9594726562 1.01315330277858 4.0038747602624 2 2 0.868743054548019 5.26703934709285 1 TRUE TRUE TRUE TRUE TRUE "inter" 1970 "241" NA NA 5 247.128921508789 19688.0512695312 1.24407077113189 13.6591913568776 2 2 0.868743054548019 6.19155086815898 1 TRUE TRUE TRUE TRUE TRUE "inter" 1971 "241" NA NA 41 138.091583251953 23510.8125 1.26332294027027 77.7792883723701 3 6 0.857111083112714 5.3505975065113 0.5 TRUE TRUE TRUE TRUE TRUE "all" 1972 "241" NA NA 57 155.117828369141 18610.294921875 1 70.0230643383414 3 6 0.857111083112714 4.0854763471041 0.5 TRUE TRUE TRUE TRUE TRUE "all" 1973 "241" NA NA 74 183.112762451172 74141.34765625 4.49984996937805 21.0851727602813 4 6 0.839426376976695 23.1045015239399 0.666666666666667 TRUE TRUE TRUE TRUE TRUE "all" 1974 "241" NA NA 88 229.118713378906 15723.8720703125 0.972866342467994 15.8253274277694 4 6 0.839426376976695 5.37627601596726 0.666666666666667 TRUE TRUE TRUE TRUE TRUE "all" 1975 "241" NA NA 96 247.128883361816 18937.8193359375 1.28553069009648 15.5644723235419 4 6 0.839426376976695 5.99521526118054 0.666666666666667 TRUE TRUE TRUE TRUE TRUE "all" 1976 "246" "1" "LCMSMS_2.mzML" 1 100.417434692383 3012.53979492188 0.335962187110213 NA 1 1 0.974841450728785 0.250086967469667 1 TRUE TRUE TRUE TRUE TRUE "intra" 1977 "246" "1" "LCMSMS_2.mzML" 2 110.071434020996 52747.71484375 5.88249080521497 NA 1 1 0.974841450728785 4.37886864381497 1 TRUE TRUE TRUE TRUE TRUE "intra" 1978 "246" "1" "LCMSMS_2.mzML" 3 112.03719329834 1204596.875 134.338142650701 NA 1 1 0.974841450728785 100 1 TRUE TRUE TRUE TRUE TRUE "intra" 1979 "246" "1" "LCMSMS_2.mzML" 4 112.310897827148 3575.49780273438 0.398743964756673 NA 1 1 0.974841450728785 0.296821108948533 1 TRUE TRUE TRUE TRUE TRUE "intra" 1980 "246" "1" "LCMSMS_2.mzML" 5 120.003074645996 4209.83837890625 0.469486415263948 NA 1 1 0.974841450728785 0.349481097475556 1 TRUE TRUE TRUE TRUE TRUE "intra" 1981 "246" "1" "LCMSMS_2.mzML" 6 120.065299987793 4691.2216796875 0.523170880060535 NA 1 1 0.974841450728785 0.389443288211046 1 TRUE TRUE TRUE TRUE TRUE "intra" 1982 "246" "1" "LCMSMS_2.mzML" 7 125.015129089355 3768.94604492188 0.42031755347656 NA 1 1 0.974841450728785 0.312880277472235 1 TRUE TRUE TRUE TRUE TRUE "intra" 1983 "246" "1" "LCMSMS_2.mzML" 8 130.047882080078 4939.74560546875 0.550886577557852 NA 1 1 0.974841450728785 0.410074582458862 1 TRUE TRUE TRUE TRUE TRUE "intra" 1984 "246" "1" "LCMSMS_2.mzML" 9 132.053253173828 159884.984375 17.8305724383303 NA 1 1 0.974841450728785 13.2729037982105 1 TRUE TRUE TRUE TRUE TRUE "intra" 1985 "246" "1" "LCMSMS_2.mzML" 10 133.03694152832 28776.453125 3.20918586550995 NA 1 1 0.974841450728785 2.38888658290766 1 TRUE TRUE TRUE TRUE TRUE "intra" 1986 "246" "1" "LCMSMS_2.mzML" 11 147.712509155273 3520.52807617188 0.392613672439234 NA 1 1 0.974841450728785 0.29225777928171 1 TRUE TRUE TRUE TRUE TRUE "intra" 1987 "246" "1" "LCMSMS_2.mzML" 12 153.063125610352 8966.9013671875 1 NA 1 1 0.974841450728785 0.744390223259337 1 TRUE TRUE TRUE TRUE TRUE "intra" 1988 "246" "1" "LCMSMS_2.mzML" 13 155.546905517578 4072.21923828125 0.454138957431012 NA 1 1 0.974841450728785 0.338056599912834 1 TRUE TRUE TRUE TRUE TRUE "intra" 1989 "246" "1" "LCMSMS_2.mzML" 14 157.506332397461 3476.060546875 0.387654598231103 NA 1 1 0.974841450728785 0.28856629292476 1 TRUE TRUE TRUE TRUE TRUE "intra" 1990 "246" "1" "LCMSMS_2.mzML" 15 160.048065185547 216563.09375 24.1513857331438 NA 1 1 0.974841450728785 17.9780554179173 1 TRUE TRUE TRUE TRUE TRUE "intra" 1991 "246" "1" "LCMSMS_2.mzML" 16 173.02961730957 17807.7265625 1.98593982840758 NA 1 1 0.974841450728785 1.47831419224793 1 TRUE TRUE TRUE TRUE TRUE "intra" 1992 "246" "1" "LCMSMS_2.mzML" 17 178.05859375 386586.875 43.1126494169584 NA 1 1 0.974841450728785 32.0926347247912 1 TRUE TRUE TRUE TRUE TRUE "intra" 1993 "246" "1" "LCMSMS_2.mzML" 18 187.09553527832 13148.18359375 1.46630179761573 NA 1 1 0.974841450728785 1.09150072249274 1 TRUE TRUE TRUE TRUE TRUE "intra" 1994 "246" "1" "LCMSMS_2.mzML" 19 191.040130615234 161698.859375 18.0328580357428 NA 1 1 0.974841450728785 13.4234832192305 1 TRUE TRUE TRUE TRUE TRUE "intra" 1995 "246" "1" "LCMSMS_2.mzML" 20 191.058059692383 6976.28173828125 0.778003621608853 NA 1 1 0.974841450728785 0.579138289585987 1 TRUE TRUE TRUE TRUE TRUE "intra" 1996 "246" "1" "LCMSMS_2.mzML" 21 191.076446533203 57719.375 6.4369365331944 NA 1 1 0.974841450728785 4.79159262305076 1 TRUE TRUE TRUE TRUE TRUE "intra" 1997 "246" "1" "LCMSMS_2.mzML" 22 193.122222900391 8479.275390625 0.945619344231123 NA 1 1 0.974841450728785 0.703909794770553 1 TRUE TRUE TRUE TRUE TRUE "intra" 1998 "246" "1" "LCMSMS_2.mzML" 23 201.073806762695 8188.94873046875 0.913241753771765 NA 1 1 0.974841450728785 0.679808232979913 1 TRUE TRUE TRUE TRUE TRUE "intra" 1999 "246" "1" "LCMSMS_2.mzML" 24 203.09098815918 35861.9765625 3.99937225736969 NA 1 1 0.974841450728785 2.97709360756062 1 TRUE TRUE TRUE TRUE TRUE "intra" 2000 "246" "1" "LCMSMS_2.mzML" 25 232.06901550293 202170.046875 22.5462552331398 NA 1 1 0.974841450728785 16.783211966659 1 TRUE TRUE TRUE TRUE TRUE "intra" 2001 "246" "1" "LCMSMS_2.mzML" 26 249.095581054688 864044.125 96.3592761443534 NA 1 1 0.974841450728785 71.7289030822033 1 TRUE TRUE TRUE TRUE TRUE "intra" 2002 "246" "1" "LCMSMS_2.mzML" 27 256.981597900391 3960.87768554688 0.44172200890275 NA 1 1 0.974841450728785 0.328813544825681 1 TRUE TRUE TRUE TRUE TRUE "intra" 2003 "246" "2" "LCMSMS_1.mzML" 1 102.05534362793 5758.3828125 0.341270540834191 NA 1 1 0.972305308606495 0.612372948936577 1 TRUE TRUE TRUE TRUE TRUE "intra" 2004 "246" "2" "LCMSMS_1.mzML" 2 110.071769714355 39500.23828125 2.34098150822125 NA 1 1 0.972305308606495 4.20063726007909 1 TRUE TRUE TRUE TRUE TRUE "intra" 2005 "246" "2" "LCMSMS_1.mzML" 3 112.037246704102 940339.1875 55.7291992448111 NA 1 1 0.972305308606495 100 1 TRUE TRUE TRUE TRUE TRUE "intra" 2006 "246" "2" "LCMSMS_1.mzML" 4 120.003524780273 6103.93701171875 0.361749809457825 NA 1 1 0.972305308606495 0.649120773956764 1 TRUE TRUE TRUE TRUE TRUE "intra" 2007 "246" "2" "LCMSMS_1.mzML" 5 120.065902709961 10654.81640625 0.631457663696259 NA 1 1 0.972305308606495 1.13308224818079 1 TRUE TRUE TRUE TRUE TRUE "intra" 2008 "246" "2" "LCMSMS_1.mzML" 6 130.049179077148 4996.4912109375 0.296117037257137 NA 1 1 0.972305308606495 0.531349887078645 1 TRUE TRUE TRUE TRUE TRUE "intra" 2009 "246" "2" "LCMSMS_1.mzML" 7 132.053283691406 119280.65625 7.06916774986375 NA 1 1 0.972305308606495 12.6848543414554 1 TRUE TRUE TRUE TRUE TRUE "intra" 2010 "246" "2" "LCMSMS_1.mzML" 8 133.037567138672 29320.185546875 1.73766071217427 NA 1 1 0.972305308606495 3.11804356732448 1 TRUE TRUE TRUE TRUE TRUE "intra" 2011 "246" "2" "LCMSMS_1.mzML" 9 134.018768310547 11701.443359375 0.693486007065383 NA 1 1 0.972305308606495 1.24438537869347 1 TRUE TRUE TRUE TRUE TRUE "intra" 2012 "246" "2" "LCMSMS_1.mzML" 10 153.063461303711 15509.638671875 0.919178691316584 NA 1 1 0.972305308606495 1.64936640714817 1 TRUE TRUE TRUE TRUE TRUE "intra" 2013 "246" "2" "LCMSMS_1.mzML" 11 160.048049926758 171535.25 10.1660360982866 NA 1 1 0.972305308606495 18.241848503203 1 TRUE TRUE TRUE TRUE TRUE "intra" 2014 "246" "2" "LCMSMS_1.mzML" 12 173.029846191406 18237.09375 1.08082130868342 NA 1 1 0.972305308606495 1.93941654165083 1 TRUE TRUE TRUE TRUE TRUE "intra" 2015 "246" "2" "LCMSMS_1.mzML" 13 177.075286865234 3303.73095703125 0.195795605674091 NA 1 1 0.972305308606495 0.351333965546475 1 TRUE TRUE TRUE TRUE TRUE "intra" 2016 "246" "2" "LCMSMS_1.mzML" 14 178.058670043945 303257.25 17.9725400497398 NA 1 1 0.972305308606495 32.2497726385565 1 TRUE TRUE TRUE TRUE TRUE "intra" 2017 "246" "2" "LCMSMS_1.mzML" 15 180.905288696289 3644.25463867188 0.215976740687915 NA 1 1 0.972305308606495 0.387546822158986 1 TRUE TRUE TRUE TRUE TRUE "intra" 2018 "246" "2" "LCMSMS_1.mzML" 16 187.095825195312 6590.21435546875 0.39056903483769 NA 1 1 0.972305308606495 0.700833746277191 1 TRUE TRUE TRUE TRUE TRUE "intra" 2019 "246" "2" "LCMSMS_1.mzML" 17 191.040252685547 270489.15625 16.030539067816 NA 1 1 0.972305308606495 28.7650626333171 1 TRUE TRUE TRUE TRUE TRUE "intra" 2020 "246" "2" "LCMSMS_1.mzML" 18 191.07649230957 83460.109375 4.94626314225909 NA 1 1 0.972305308606495 8.87553241260617 1 TRUE TRUE TRUE TRUE TRUE "intra" 2021 "246" "2" "LCMSMS_1.mzML" 19 193.122436523438 4344.080078125 0.257451893345924 NA 1 1 0.972305308606495 0.461969482487935 1 TRUE TRUE TRUE TRUE TRUE "intra" 2022 "246" "2" "LCMSMS_1.mzML" 20 196.547912597656 3137.29174804688 0.18593158643195 NA 1 1 0.972305308606495 0.333634053515065 1 TRUE TRUE TRUE TRUE TRUE "intra" 2023 "246" "2" "LCMSMS_1.mzML" 21 201.074554443359 5955.5576171875 0.352956105067348 NA 1 1 0.972305308606495 0.633341425770103 1 TRUE TRUE TRUE TRUE TRUE "intra" 2024 "246" "2" "LCMSMS_1.mzML" 22 203.089859008789 23535.162109375 1.39481131477602 NA 1 1 0.972305308606495 2.50283753163004 1 TRUE TRUE TRUE TRUE TRUE "intra" 2025 "246" "2" "LCMSMS_1.mzML" 23 232.069076538086 151738.125 8.9927595420552 NA 1 1 0.972305308606495 16.1365310535886 1 TRUE TRUE TRUE TRUE TRUE "intra" 2026 "246" "2" "LCMSMS_1.mzML" 24 249.095672607422 689680.875 40.8739350748484 NA 1 1 0.972305308606495 73.3438406234665 1 TRUE TRUE TRUE TRUE TRUE "intra" 2027 "246" NA NA 1 100.417434692383 3012.53979492188 0.335962187110213 NA 1 2 0.974841450728785 0.250086967469667 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 2028 "246" NA NA 2 102.05534362793 5758.3828125 0.341270540834191 NA 1 2 0.972305308606495 0.612372948936577 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 2029 "246" NA NA 3 110.071601867676 46123.9765625 4.11173615671811 20.3091346607125 2 2 0.97357337966764 4.28975295194703 1 TRUE TRUE TRUE TRUE TRUE "inter" 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