Mercurial > repos > computational-metabolomics > mspurity_spectralmatching
view test-data/averageFragSpectra_output_all_only.tsv @ 10:fcd8ef711617 draft
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit f10386dee95f3b1fbc8d1eeec52d450381ba89c5
author | computational-metabolomics |
---|---|
date | Fri, 13 Sep 2024 12:25:50 +0000 |
parents | 5ff9d40c7a42 |
children |
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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 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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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