Mercurial > repos > computational-metabolomics > mspurity_filterfragspectra
diff test-data/averageFragSpectra_output_all.tsv @ 0:96af79da0cc6 draft
"planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit cb903cd93f9378cfb5eeb68512a54178dcea7bbc-dirty"
| author | computational-metabolomics |
|---|---|
| date | Wed, 27 Nov 2019 13:48:10 -0500 |
| parents | |
| children |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/averageFragSpectra_output_all.tsv Wed Nov 27 13:48:10 2019 -0500 @@ -0,0 +1,7375 @@ +"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 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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 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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" 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0.750958844283548 4.8762360631404 0.666666666666667 TRUE TRUE TRUE TRUE TRUE "intra" 3719 +"373" "1" "LCMSMS_2.mzML" 17 129.102653503418 12090.6684570312 1.34087402821864 0.60413526885934 2 3 1 9.99034126362911 0.666666666666667 TRUE TRUE TRUE TRUE TRUE "intra" 3720 +"373" "1" "LCMSMS_2.mzML" 25 138.091461181641 14730.0942382812 1.59283211876572 10.6418385311875 2 3 1 12.1227966477308 0.666666666666667 TRUE TRUE TRUE TRUE TRUE "intra" 3721 +"373" "1" "LCMSMS_2.mzML" 28 141.065780639648 19658.943359375 1.93015553365915 46.7458172846171 2 3 1 15.9465738072081 0.666666666666667 TRUE TRUE TRUE TRUE TRUE "intra" 3722 +"373" "1" "LCMSMS_2.mzML" 29 141.10228729248 35091.9375 3.16761179140825 75.4620608707931 2 3 1 28.1349218315951 0.666666666666667 TRUE TRUE TRUE TRUE TRUE "intra" 3723 +"373" "1" "LCMSMS_2.mzML" 31 143.118049621582 114683.799316406 8.79510211916448 137.206722934077 2 3 0.750958844283548 51.3331635282515 0.666666666666667 TRUE TRUE TRUE TRUE TRUE "intra" 3724 +"373" "1" "LCMSMS_2.mzML" 38 155.045127868652 7941.7431640625 0.753099633396086 71.6944034758931 2 3 0.750958844283548 4.35719794188912 0.666666666666667 TRUE TRUE TRUE TRUE TRUE "intra" 3725 +"373" "1" "LCMSMS_2.mzML" 39 155.117874145508 7368.30798339844 0.667499765046184 74.2846781281445 2 3 1 5.91037625699678 0.666666666666667 TRUE TRUE TRUE TRUE TRUE "intra" 3726 +"373" "1" "LCMSMS_2.mzML" 44 158.092620849609 18440.1302490234 1.44088968572842 119.455380651297 2 3 1 14.5184507452406 0.666666666666667 TRUE TRUE TRUE TRUE TRUE "intra" 3727 +"373" "1" "LCMSMS_2.mzML" 46 169.060989379883 6376.5634765625 0.695143826395464 7.44632188131012 2 3 1 5.25455987697565 0.666666666666667 TRUE TRUE TRUE TRUE TRUE "intra" 3728 +"373" "1" "LCMSMS_2.mzML" 49 171.112854003906 12748.3640136719 0.968943239367684 95.7903297753659 2 3 0.750958844283548 6.33636570769001 0.666666666666667 TRUE TRUE TRUE TRUE TRUE "intra" 3729 +"373" "1" "LCMSMS_2.mzML" 50 172.072105407715 10276.8901367188 1.32961565883181 61.6411798155839 2 3 0.750958844283548 7.72283127721168 0.666666666666667 TRUE TRUE TRUE TRUE TRUE "intra" 3730 +"373" "1" "LCMSMS_2.mzML" 54 182.129089355469 41506.6447753906 3.16126732500919 126.623148421729 2 3 1 32.5818727056504 0.666666666666667 TRUE TRUE TRUE TRUE TRUE "intra" 3731 +"373" "1" "LCMSMS_2.mzML" 55 183.113006591797 77941.12890625 7.1017615006057 72.3752679093785 2 3 1 62.5680715678414 0.666666666666667 TRUE TRUE TRUE TRUE TRUE "intra" 3732 +"373" "1" "LCMSMS_2.mzML" 56 186.087425231934 9323.60034179688 0.929951127293881 41.0882544344158 2 3 1 7.58023329224711 0.666666666666667 TRUE TRUE TRUE TRUE TRUE "intra" 3733 +"373" "1" "LCMSMS_2.mzML" 63 199.107467651367 10361.0107421875 1.01285510030246 48.2899545642161 2 3 1 8.39920683658568 0.666666666666667 TRUE TRUE TRUE TRUE TRUE "intra" 3734 +"373" "1" "LCMSMS_2.mzML" 64 200.139541625977 11040.3430175781 1.05311561390071 56.8818406557597 2 3 1 8.91881939617962 0.666666666666667 TRUE TRUE TRUE TRUE TRUE "intra" 3735 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4389.90283203125 0.355203472779953 NA 1 1 1 3.55842374715279 1 TRUE TRUE TRUE TRUE TRUE "intra" 3742 +"373" "2" "LCMSMS_1.mzML" 6 127.050109863281 4293.4560546875 0.347399602953731 NA 1 1 1 3.4802446812445 1 TRUE TRUE TRUE TRUE TRUE "intra" 3743 +"373" "2" "LCMSMS_1.mzML" 7 129.065963745117 4180.9111328125 0.338293171986271 NA 1 1 1 3.38901657485014 1 TRUE TRUE TRUE TRUE TRUE "intra" 3744 +"373" "2" "LCMSMS_1.mzML" 8 129.102508544922 11941.1533203125 0.966203419680309 NA 1 1 1 9.67941322831765 1 TRUE TRUE TRUE TRUE TRUE "intra" 3745 +"373" "2" "LCMSMS_1.mzML" 9 130.049957275391 123366.5 9.98204536669255 NA 1 1 1 100 1 TRUE TRUE TRUE TRUE TRUE "intra" 3746 +"373" "2" "LCMSMS_1.mzML" 10 131.045059204102 29113.298828125 2.35566600070863 NA 1 1 1 23.599031202251 1 TRUE TRUE TRUE TRUE TRUE "intra" 3747 +"373" "2" "LCMSMS_1.mzML" 11 131.118392944336 12747.1845703125 1.03142242568657 NA 1 1 1 10.3327763779571 1 TRUE TRUE TRUE TRUE TRUE "intra" 3748 +"373" "2" "LCMSMS_1.mzML" 12 138.091598510742 18277.814453125 1.47892639472695 NA 1 1 1 14.8158652901112 1 TRUE TRUE TRUE TRUE TRUE "intra" 3749 +"373" "2" "LCMSMS_1.mzML" 13 141.065948486328 7267.92138671875 0.588074728583381 NA 1 1 1 5.89132494373979 1 TRUE TRUE TRUE TRUE TRUE "intra" 3750 +"373" "2" "LCMSMS_1.mzML" 14 141.102569580078 16653.923828125 1.34753132483929 NA 1 1 1 13.4995511975496 1 TRUE TRUE TRUE TRUE TRUE "intra" 3751 +"373" "2" "LCMSMS_1.mzML" 15 147.076400756836 62051.40625 5.02081158381384 NA 1 1 1 50.2984248154888 1 TRUE TRUE TRUE TRUE TRUE "intra" 3752 +"373" "2" "LCMSMS_1.mzML" 16 152.033843994141 5171.01904296875 0.418406509700325 NA 1 1 1 4.1915909448422 1 TRUE TRUE TRUE TRUE TRUE "intra" 3753 +"373" "2" "LCMSMS_1.mzML" 17 152.070327758789 4126.0048828125 0.333850501744228 NA 1 1 1 3.34450996243915 1 TRUE TRUE TRUE TRUE TRUE "intra" 3754 +"373" "2" "LCMSMS_1.mzML" 18 155.045593261719 5225.84326171875 0.422842542486827 NA 1 1 1 4.23603106331034 1 TRUE TRUE TRUE TRUE TRUE "intra" 3755 +"373" 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57.489877722072 0.75 TRUE TRUE TRUE TRUE TRUE "all" 3853 +"373" NA NA 59 186.087554931641 6614.74169921875 0.86734319208229 39.1718611868816 3 4 1 5.77359361183982 0.75 TRUE TRUE TRUE TRUE TRUE "all" 3854 +"373" NA NA 61 187.071189880371 61023.685546875 6.84768476873994 13.3757562038077 2 4 1 51.1849293246116 0.5 TRUE TRUE TRUE TRUE TRUE "all" 3855 +"373" NA NA 64 190.082206726074 87795.796875 9.779803745762 16.734159916487 2 4 1 73.5757260093686 0.5 TRUE TRUE TRUE TRUE TRUE "all" 3856 +"373" NA NA 66 199.107192993164 6823.1240234375 1.00188283258213 48.5154225292743 3 4 1 5.95547748737676 0.75 TRUE TRUE TRUE TRUE TRUE "all" 3857 +"373" NA NA 67 200.139785766602 12713.0029296875 1.02865666117654 39.182886121472 3 4 1 10.3050689852492 0.75 TRUE TRUE TRUE TRUE TRUE "all" 3858 +"373" NA NA 69 204.097816467285 67561.6640625 7.75397381132441 2.9222481421574 2 4 1 56.8242236495218 0.5 TRUE TRUE TRUE TRUE TRUE "all" 3859 +"373" NA NA 71 211.107727050781 19553.7563476562 2.14675783711197 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106.050354003906 46062.7578125 2.79192288350606 NA 1 1 1 29.460600215397 1 TRUE TRUE TRUE TRUE TRUE "intra" 3867 +"379" "1" "LCMSMS_2.mzML" 3 114.09162902832 24265.951171875 1.4707904516393 NA 1 1 1 15.519901983093 1 TRUE TRUE TRUE TRUE TRUE "intra" 3868 +"379" "1" "LCMSMS_2.mzML" 4 116.034889221191 3464.34204101562 0.209978218411814 NA 1 1 1 2.21570745492918 1 TRUE TRUE TRUE TRUE TRUE "intra" 3869 +"379" "1" "LCMSMS_2.mzML" 5 116.070938110352 47780.54296875 2.89604004701163 NA 1 1 1 30.5592531000163 1 TRUE TRUE TRUE TRUE TRUE "intra" 3870 +"379" "1" "LCMSMS_2.mzML" 6 118.086624145508 18764.42578125 1.13733593519896 NA 1 1 1 12.0012624615993 1 TRUE TRUE TRUE TRUE TRUE "intra" 3871 +"379" "1" "LCMSMS_2.mzML" 7 120.065841674805 5843.3857421875 0.3541751112075 NA 1 1 1 3.73728494406864 1 TRUE TRUE TRUE TRUE TRUE "intra" 3872 +"379" "1" "LCMSMS_2.mzML" 8 125.10701751709 6236.45361328125 0.377999459470466 NA 1 1 1 3.98868142916289 1 TRUE TRUE TRUE TRUE TRUE "intra" 3873 +"379" "1" 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