Mercurial > repos > computational-metabolomics > mspurity_frag4feature
view test-data/averageFragSpectra_output_all_only.tsv @ 0:ab65999a5430 draft
"planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit cb903cd93f9378cfb5eeb68512a54178dcea7bbc-dirty"
author | computational-metabolomics |
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date | Wed, 27 Nov 2019 14:23:10 -0500 |
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"grpid" "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" "12" 1 112.050884246826 502873.46875 1.49559682565184 17.5046020693718 2 2 1 100 1 TRUE TRUE TRUE TRUE TRUE "all" "12" 2 126.53768157959 2499.31469726562 0.00880634869631973 NA 1 2 1 0.442264803855417 0.5 TRUE TRUE TRUE TRUE TRUE "all" "14" 2 113.000061035156 54011.0390625 2.57691623237519 34.1018464932833 2 3 0.736066781523093 9.7374815297203 0.666666666666667 TRUE TRUE TRUE TRUE TRUE "all" "14" 4 113.034805297852 7964904.5 1.98330787483505 91.7520832138417 3 3 1 100 1 TRUE TRUE TRUE TRUE TRUE "all" "17" 3 116.016609191895 4434.369140625 1 75.0366299915493 5 6 1 2.86539049089055 0.833333333333333 TRUE TRUE TRUE TRUE TRUE "all" "17" 4 116.070896148682 157547.453125 19.6548353907486 126.209327379484 6 6 1 100 1 TRUE TRUE TRUE TRUE TRUE "all" "17" 5 116.107261657715 6152.61499023438 0.956173791148399 62.7691199937618 4 6 0.994688094344781 4.81700933424858 0.666666666666667 TRUE TRUE TRUE TRUE TRUE "all" "41" 5 132.102035522461 338114.46875 1.93796749436666 132.612605267933 6 6 1 100 1 TRUE TRUE TRUE TRUE TRUE "all" "47" 4 110.035266876221 290341.673828125 13.283727458927 129.821929164576 4 4 1 4.39610206588215 1 TRUE TRUE TRUE TRUE TRUE "all" "47" 6 112.050743103027 12029.1610107422 0.933419422280179 135.193058609705 4 4 1 0.257907789757246 1 TRUE TRUE TRUE TRUE TRUE "all" "47" 8 119.035442352295 200743.407226562 10.2590441788969 132.761708401777 4 4 1 3.17391657883486 1 TRUE TRUE TRUE TRUE TRUE "all" "47" 13 137.045837402344 6519742.5 301.707275676269 130.53812412249 4 4 1 100 1 TRUE TRUE TRUE TRUE TRUE "all" "48" 4 110.060367584229 94015.55859375 7.53431608997763 137.313817205995 8 8 0.90879349887876 6.08202565234109 1 TRUE TRUE TRUE TRUE TRUE "all" "48" 5 110.071681976318 7003.96740722656 1.61868644745285 69.7750610286884 4 8 0.685069318171717 0.524145310011101 0.5 TRUE TRUE TRUE TRUE TRUE "all" "48" 21 138.054893493652 1430074.53125 73.5860610306053 140.532647936552 8 8 0.90879349887876 100 1 TRUE TRUE TRUE TRUE TRUE "all" "48" 32 154.049659729004 14833.1328125 1 90.7138053298562 4 8 0.580512025837304 0.275005890533781 0.5 TRUE TRUE TRUE TRUE TRUE "all" "49" 1 110.035133361816 4197.11962890625 1 NA 1 2 0.786277688323535 1.02653133134194 0.5 TRUE TRUE TRUE TRUE TRUE "all" "49" 2 111.032066345215 3606.22302246094 0.462338837469477 26.3932002747712 2 2 0.791549860789046 0.741714343653164 1 TRUE TRUE TRUE TRUE TRUE "all" "49" 3 111.038753509521 22056.884765625 2.96658715186508 16.7999273043384 2 2 0.791549860789046 4.58563062067649 1 TRUE TRUE TRUE TRUE TRUE "all" "49" 4 120.031585693359 3442.69409179688 0.820251600189444 NA 1 2 0.786277688323535 0.842013967177829 0.5 TRUE TRUE TRUE TRUE TRUE "all" "49" 5 120.038921356201 14920.083984375 1.79733456294024 38.1982171458533 2 2 0.791549860789046 3.02787468536299 1 TRUE TRUE TRUE TRUE TRUE "all" "49" 6 131.267166137695 2650.74243164062 0.631562277468702 NA 1 2 0.786277688323535 0.648318465515296 0.5 TRUE TRUE TRUE TRUE TRUE "all" "49" 7 137.396865844727 3584.59228515625 0.189160230812614 NA 1 2 0.796822033254558 0.641676942711624 0.5 TRUE TRUE TRUE TRUE TRUE "all" "49" 8 138.050010681152 483746.53125 63.4472415561396 21.891534281712 2 2 0.791549860789046 100 1 TRUE TRUE TRUE TRUE TRUE "all" "51" 1 108.959754943848 2408.8056640625 0.0170069383724454 NA 1 2 1 0.0909056422771568 0.5 TRUE TRUE TRUE TRUE TRUE "all" "51" 2 114.089179992676 568595.515625 1.08790481407743 71.6459546083282 2 2 1 10.699108716044 1 TRUE TRUE TRUE TRUE TRUE "all" "51" 3 140.06812286377 5286829.375 10.2566080455824 70.5402270492406 2 2 1 100 1 TRUE TRUE TRUE TRUE TRUE "all" "51" 4 143.032638549805 2735.88037109375 0.0193161904091102 NA 1 2 1 0.103249077349102 0.5 TRUE TRUE TRUE TRUE TRUE "all" "62" 1 100.021862030029 18680.7416992188 4.02661010995664 50.6242473729593 2 4 0.910692114498729 5.13524499797925 0.5 TRUE TRUE TRUE TRUE TRUE "all" "62" 4 108.055770874023 9930.2236328125 0.966419359398943 82.9422144870317 3 4 0.983625855342406 0.922950893153297 0.75 TRUE TRUE TRUE TRUE TRUE "all" "62" 8 118.06534576416 13944.4609375 2.5223836470695 35.2550366748203 3 4 0.983625855342406 1.29604862414984 0.75 TRUE TRUE TRUE TRUE TRUE "all" "62" 10 128.070503234863 21271.6337890625 1.20665785928341 77.0621839706153 2 4 0.991812927671203 0.545064869817757 0.5 TRUE TRUE TRUE TRUE TRUE "all" "62" 12 130.049789428711 3144.66137695312 0.681279216180058 143.188333787597 3 4 0.983625855342406 0.915377550660179 0.75 TRUE TRUE TRUE TRUE TRUE "all" "62" 13 130.086532592773 3415.60205078125 0.584569429146013 16.7716095922357 2 4 0.991812927671203 0.285535648143351 0.5 TRUE TRUE TRUE TRUE TRUE "all" "62" 15 146.028373718262 7016.0517578125 1.03248204997217 66.3824419685578 2 4 0.910692114498729 1.15090203937058 0.5 TRUE TRUE TRUE TRUE TRUE "all" "62" 16 146.059921264648 10817.2392578125 2.11836983977041 16.8920904091654 2 4 0.910692114498729 2.62789650197017 0.5 TRUE TRUE TRUE TRUE TRUE "all" "62" 17 146.117546081543 1193844 202.887621677079 164.576974051271 4 4 0.991812927671203 100 1 TRUE TRUE TRUE TRUE TRUE "all" "63" 1 101.071311950684 3386.74780273438 0.699855117949827 21.7104314556744 4 4 0.957191303823293 0.105855670006791 1 TRUE TRUE TRUE TRUE TRUE "all" "63" 3 102.055267333984 4384.31787109375 0.540195071743563 15.0389882156732 2 4 0.957191303823293 0.129630049484438 0.5 TRUE TRUE TRUE TRUE TRUE "all" "63" 5 103.054622650146 211069.8828125 40.2821922106902 7.9487524062521 4 4 0.957191303823293 6.37198695327386 1 TRUE TRUE TRUE TRUE TRUE "all" "63" 7 119.049335479736 3319974.875 634.399502453737 4.96643399209547 4 4 0.957191303823293 100 1 TRUE TRUE TRUE TRUE TRUE "all" "63" 8 120.011459350586 3004.84851074219 0.689607676783627 16.9525155779711 2 4 0.960413165628843 0.0957285546756386 0.5 TRUE TRUE TRUE TRUE TRUE "all" "63" 12 129.070129394531 3654.64453125 0.729615242555957 17.1468083854227 3 4 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59.6815333377976 21.8727247608901 2 2 1 28.0368703885089 1 TRUE TRUE TRUE TRUE TRUE "all" "66" 2 102.037693023682 32286.736328125 3.86702622180781 23.4190603104885 2 2 1 1.82646970322853 1 TRUE TRUE TRUE TRUE TRUE "all" "66" 3 102.055305480957 25863.833984375 3.86385651325153 32.3908003658157 2 2 1 1.53856307081393 1 TRUE TRUE TRUE TRUE TRUE "all" "66" 4 102.902954101562 2297.19018554688 0.476115324731577 NA 1 2 1 0.149742941795958 0.5 TRUE TRUE TRUE TRUE TRUE "all" "66" 5 103.082748413086 2655.95483398438 0.550472836864324 NA 1 2 1 0.173129109039501 0.5 TRUE TRUE TRUE TRUE TRUE "all" "66" 6 120.011615753174 1759045.5 215.662496888936 18.0857377746788 2 2 1 100 1 TRUE TRUE TRUE TRUE TRUE "all" "66" 7 122.01634979248 2559.43994140625 0.530469173384312 NA 1 2 1 0.166837760577062 0.5 TRUE TRUE TRUE TRUE TRUE "all" "66" 8 130.050086975098 16121.740234375 2.21096763717784 9.30962037069895 2 2 1 0.939587339958156 1 TRUE TRUE TRUE TRUE TRUE "all" "66" 9 130.086097717285 5192.6826171875 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18.0981825670677 2 2 1 86.9053172725607 1 TRUE TRUE TRUE TRUE TRUE "all" "66" 18 157.48600769043 2885.98486328125 0.164911028076602 NA 1 2 1 0.145462809266813 0.5 TRUE TRUE TRUE TRUE TRUE "all" "66" 19 160.701766967773 2493.13793945312 0.516727429496985 NA 1 2 1 0.162515847275374 0.5 TRUE TRUE TRUE TRUE TRUE "all" "67" 1 104.016593933105 35712.279296875 1.78315911171943 10.792362835169 2 2 0.837806194968436 1.47716568258613 1 TRUE TRUE TRUE TRUE TRUE "all" "67" 2 109.031856536865 23852.3662109375 1.18690073334605 14.8278688655582 2 2 0.837806194968436 0.989372278889196 1 TRUE TRUE TRUE TRUE TRUE "all" "67" 3 110.097152709961 2624.76928710938 0.128391949633067 NA 1 2 0.835356522321461 0.110377723149363 0.5 TRUE TRUE TRUE TRUE TRUE "all" "67" 4 111.011154174805 2415346 120.462574649164 2.18734031106696 2 2 0.837806194968436 100 1 TRUE TRUE TRUE TRUE TRUE "all" "67" 5 112.343109130859 2894.3193359375 0.147040002968798 NA 1 2 0.840255867615411 0.11800525587069 0.5 TRUE TRUE TRUE TRUE TRUE 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