Mercurial > repos > computational-metabolomics > mspurity_createmsp
diff test-data/averageFragSpectra_output_inter.tsv @ 0:35898942bfbb 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 14:20:07 -0500 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/averageFragSpectra_output_inter.tsv Wed Nov 27 14:20:07 2019 -0500 @@ -0,0 +1,5615 @@ +"grpid" "fileid" "filename" "cl" "mz" "i" "snr" "rsd" "count" "total" "inPurity" "ra" "frac" "snr_pass_flag" "minnum_pass_flag" "minfrac_pass_flag" "ra_pass_flag" "pass_flag" "method" "avid" +"12" "1" "LCMSMS_2.mzML" 1 112.050888061523 440629.6875 1 NA 1 1 1 100 1 TRUE TRUE TRUE TRUE TRUE "intra" 1 +"12" "2" "LCMSMS_1.mzML" 1 112.050880432129 565117.25 1.99119365130368 NA 1 1 1 100 1 TRUE TRUE TRUE TRUE TRUE "intra" 2 +"12" "2" "LCMSMS_1.mzML" 2 126.53768157959 2499.31469726562 0.00880634869631973 NA 1 1 1 0.442264803855417 1 TRUE TRUE TRUE TRUE TRUE "intra" 3 +"12" NA NA 1 112.050884246826 502873.46875 1.49559682565184 17.5046020693718 2 2 1 100 1 TRUE TRUE TRUE TRUE TRUE "inter" 4 +"12" NA NA 2 126.53768157959 2499.31469726562 0.00880634869631973 NA 1 2 1 0.442264803855417 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 5 +"14" "1" "LCMSMS_2.mzML" 1 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4.05977908761753 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1812 +"282" NA NA 9 132.306900024414 2790.7412109375 0.229754640044881 NA 1 2 0.556694264486346 3.88634412731708 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1813 +"282" NA NA 10 143.819931030273 2752.82299804688 0.255015295404241 NA 1 2 0.586735229915088 3.71432547923112 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1814 +"282" NA NA 11 150.013809204102 3940.181640625 0.324385152949791 NA 1 2 0.556694264486346 5.48703753669135 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1815 +"282" NA NA 12 159.014289855957 11402.33984375 0.988552935577329 21.5411349158387 2 2 0.571714747200717 15.6694374059557 1 TRUE TRUE TRUE TRUE TRUE "inter" 1816 +"282" NA NA 13 164.029335021973 14976.8408203125 1.32080140875219 19.3948463901258 2 2 0.571714747200717 20.4877530516151 1 TRUE TRUE TRUE TRUE TRUE "inter" 1817 +"282" NA NA 14 168.126541137695 2528.20141601562 0.208140405144373 NA 1 2 0.556694264486346 3.52073516788264 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1818 +"282" NA NA 15 177.02466583252 51129.326171875 4.46864327452024 2.29807006135236 2 2 0.571714747200717 70.1128103879311 1 TRUE TRUE TRUE TRUE TRUE "inter" 1819 +"282" NA NA 16 178.974731445312 4436.08532714844 0.393511480230144 33.5869704205562 2 2 0.571714747200717 6.05875786647394 1 TRUE TRUE TRUE TRUE TRUE "inter" 1820 +"282" NA NA 17 191.040214538574 42986.630859375 3.77189687576662 7.220753060976 2 2 0.571714747200717 58.8842151162121 1 TRUE TRUE TRUE TRUE TRUE "inter" 1821 +"282" NA NA 18 191.076782226562 12744.0219726562 1.11626532274193 2.98170470224437 2 2 0.571714747200717 17.4653671782202 1 TRUE TRUE TRUE TRUE TRUE "inter" 1822 +"282" NA NA 19 203.040618896484 12391.6337890625 1.08164123502736 5.33779806768251 2 2 0.571714747200717 16.9982123898138 1 TRUE TRUE TRUE TRUE TRUE "inter" 1823 +"282" NA NA 20 205.05598449707 3205.2880859375 0.29693063762944 NA 1 2 0.586735229915088 4.32482699189906 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1824 +"282" NA NA 21 207.014587402344 72961.2890625 6.38878394338419 2.23367133917701 2 2 0.571714747200717 100 1 TRUE TRUE TRUE TRUE TRUE "inter" 1825 +"282" NA NA 22 207.033981323242 5734.98291015625 0.503219920746222 7.21684195319893 2 2 0.571714747200717 7.85593353670271 1 TRUE TRUE TRUE TRUE TRUE "inter" 1826 +"282" NA NA 23 207.05184173584 14531.7172851562 1.26626112736935 9.46033306804252 2 2 0.571714747200717 19.94304245349 1 TRUE TRUE TRUE TRUE TRUE "inter" 1827 +"282" NA NA 24 218.967933654785 9198.8681640625 0.789544858761601 45.31800881295 2 2 0.571714747200717 12.6748489255295 1 TRUE TRUE TRUE TRUE TRUE "inter" 1828 +"282" NA NA 25 221.051002502441 15606.8374023438 1.36413833272614 2.08888369128804 2 2 0.571714747200717 21.400901511319 1 TRUE TRUE TRUE TRUE TRUE "inter" 1829 +"282" NA NA 26 265.072769165039 5121.220703125 0.44803137689491 0.0732573590316509 2 2 0.571714747200717 7.02078696722038 1 TRUE TRUE TRUE TRUE TRUE "inter" 1830 +"298" "1" "LCMSMS_2.mzML" 1 104.992698669434 3048620 367.079976924826 NA 1 1 1 100 1 TRUE TRUE TRUE TRUE TRUE "intra" 1831 +"298" "1" "LCMSMS_2.mzML" 2 112.89591217041 40926.08984375 4.92785198400165 NA 1 1 1 1.34244641325419 1 TRUE TRUE TRUE TRUE TRUE "intra" 1832 +"298" "1" "LCMSMS_2.mzML" 3 123.003486633301 4431.7578125 0.533621624062336 NA 1 1 1 0.145369308490399 1 TRUE TRUE TRUE TRUE TRUE "intra" 1833 +"298" "1" "LCMSMS_2.mzML" 4 130.049285888672 3339.44555664062 0.402097866534155 NA 1 1 1 0.109539580421326 1 TRUE TRUE TRUE TRUE TRUE "intra" 1834 +"298" "1" "LCMSMS_2.mzML" 5 135.772277832031 3055.81420898438 0.367946221346229 NA 1 1 1 0.100235982476805 1 TRUE TRUE TRUE TRUE TRUE "intra" 1835 +"298" "1" "LCMSMS_2.mzML" 6 146.018997192383 27313.734375 3.28880771762497 NA 1 1 1 0.895937649657878 1 TRUE TRUE TRUE TRUE TRUE "intra" 1836 +"298" "1" "LCMSMS_2.mzML" 7 170.042434692383 11567.099609375 1.39277793155478 NA 1 1 1 0.379420839900512 1 TRUE TRUE TRUE TRUE TRUE "intra" 1837 +"298" "1" "LCMSMS_2.mzML" 8 176.162475585938 3204.0498046875 0.385795057557413 NA 1 1 1 0.105098365971735 1 TRUE TRUE TRUE TRUE TRUE "intra" 1838 +"298" "1" "LCMSMS_2.mzML" 9 176.406677246094 3311.90942382812 0.398782280138536 NA 1 1 1 0.108636347718906 1 TRUE TRUE TRUE TRUE TRUE "intra" 1839 +"298" "1" "LCMSMS_2.mzML" 10 176.992874145508 4265.4697265625 0.51359911330376 NA 1 1 1 0.139914772144856 1 TRUE TRUE TRUE TRUE TRUE "intra" 1840 +"298" "1" "LCMSMS_2.mzML" 11 186.912292480469 32750.466796875 3.94343689803064 NA 1 1 1 1.07427186060824 1 TRUE TRUE TRUE TRUE TRUE "intra" 1841 +"298" "1" "LCMSMS_2.mzML" 12 186.995330810547 97608.78125 11.7529338418401 NA 1 1 1 3.20173656441275 1 TRUE TRUE TRUE TRUE TRUE "intra" 1842 +"298" "1" "LCMSMS_2.mzML" 13 192.990859985352 3744.81689453125 0.450908049947921 NA 1 1 1 0.122836460251893 1 TRUE TRUE TRUE TRUE TRUE "intra" 1843 +"298" "1" "LCMSMS_2.mzML" 14 204.922805786133 30499.603515625 3.67241366740754 NA 1 1 1 1.00043965845612 1 TRUE TRUE TRUE TRUE TRUE "intra" 1844 +"298" "1" "LCMSMS_2.mzML" 15 269.039306640625 5043.013671875 0.607222068445217 NA 1 1 1 0.165419556122934 1 TRUE TRUE TRUE TRUE TRUE "intra" 1845 +"298" "1" "LCMSMS_2.mzML" 16 269.111785888672 15881.720703125 1.91229529073143 NA 1 1 1 0.520947861757943 1 TRUE TRUE TRUE TRUE TRUE "intra" 1846 +"298" "2" "LCMSMS_1.mzML" 1 104.992706298828 1722148.25 201.059889968188 NA 1 1 0.916804554552295 100 1 TRUE TRUE TRUE TRUE TRUE "intra" 1847 +"298" "2" "LCMSMS_1.mzML" 2 112.896064758301 66524.015625 7.76664335477769 NA 1 1 0.916804554552295 3.86285069389351 1 TRUE TRUE TRUE TRUE TRUE "intra" 1848 +"298" "2" "LCMSMS_1.mzML" 3 113.738670349121 3244.43115234375 0.378785607162215 NA 1 1 0.916804554552295 0.188394416818863 1 TRUE TRUE TRUE TRUE TRUE "intra" 1849 +"298" "2" "LCMSMS_1.mzML" 4 115.773323059082 2838.77758789062 0.331425769799695 NA 1 1 0.916804554552295 0.164839327153782 1 TRUE TRUE TRUE TRUE TRUE "intra" 1850 +"298" "2" "LCMSMS_1.mzML" 5 123.003311157227 3811.267578125 0.444963457644912 NA 1 1 0.916804554552295 0.221308913336874 1 TRUE TRUE TRUE TRUE TRUE "intra" 1851 +"298" "2" "LCMSMS_1.mzML" 6 146.019180297852 14343.2041015625 1.67456143131198 NA 1 1 0.916804554552295 0.832866978877254 1 TRUE TRUE TRUE TRUE TRUE "intra" 1852 +"298" "2" "LCMSMS_1.mzML" 7 148.2451171875 3183.01879882812 0.371615747633258 NA 1 1 0.916804554552295 0.184828385060817 1 TRUE TRUE TRUE TRUE TRUE "intra" 1853 +"298" "2" "LCMSMS_1.mzML" 8 154.949859619141 3207.18774414062 0.374437459112034 NA 1 1 0.916804554552295 0.18623180345482 1 TRUE TRUE TRUE TRUE TRUE "intra" 1854 +"298" "2" "LCMSMS_1.mzML" 9 170.042373657227 14541.6875 1.69773426225168 NA 1 1 0.916804554552295 0.844392316399009 1 TRUE TRUE TRUE TRUE TRUE "intra" 1855 +"298" "2" "LCMSMS_1.mzML" 10 176.992538452148 6518.30615234375 0.761008767839353 NA 1 1 0.916804554552295 0.378498549839931 1 TRUE TRUE TRUE TRUE TRUE "intra" 1856 +"298" "2" "LCMSMS_1.mzML" 11 186.91178894043 35832.26953125 4.18339836263433 NA 1 1 0.916804554552295 2.08067276038808 1 TRUE TRUE TRUE TRUE TRUE "intra" 1857 +"298" "2" "LCMSMS_1.mzML" 12 186.995223999023 44461.41796875 5.19084684180151 NA 1 1 0.916804554552295 2.58174161073241 1 TRUE TRUE TRUE TRUE TRUE "intra" 1858 +"298" "2" "LCMSMS_1.mzML" 13 192.99055480957 13631.8642578125 1.59151288382812 NA 1 1 0.916804554552295 0.791561600914004 1 TRUE TRUE TRUE TRUE TRUE "intra" 1859 +"298" "2" "LCMSMS_1.mzML" 14 204.922607421875 16718.0625 1.95182488309662 NA 1 1 0.916804554552295 0.970767905724725 1 TRUE TRUE TRUE TRUE TRUE "intra" 1860 +"298" "2" "LCMSMS_1.mzML" 15 252.058502197266 5009.93701171875 0.584907474907416 NA 1 1 0.916804554552295 0.290912063564722 1 TRUE TRUE TRUE TRUE TRUE "intra" 1861 +"298" "2" "LCMSMS_1.mzML" 16 269.085510253906 8565.349609375 1 NA 1 1 0.916804554552295 0.497364243140798 1 TRUE TRUE TRUE TRUE TRUE "intra" 1862 +"298" "2" "LCMSMS_1.mzML" 17 269.111450195312 15712.990234375 1.83448323197184 NA 1 1 0.916804554552295 0.91240636422416 1 TRUE TRUE TRUE TRUE TRUE "intra" 1863 +"298" "2" "LCMSMS_1.mzML" 18 273.454193115234 2715.39135742188 0.317020493179847 NA 1 1 0.916804554552295 0.157674657650517 1 TRUE TRUE TRUE TRUE TRUE "intra" 1864 +"298" "2" "LCMSMS_1.mzML" 19 276.519256591797 3091.81103515625 0.36096728985495 NA 1 1 0.916804554552295 0.179532222917292 1 TRUE TRUE TRUE TRUE TRUE "intra" 1865 +"298" NA NA 1 104.992702484131 2385384.125 284.069933446507 39.3210116411497 2 2 0.958402277276148 100 1 TRUE TRUE TRUE TRUE TRUE "inter" 1866 +"298" NA NA 2 112.895988464355 53725.052734375 6.34724766938967 33.690924406763 2 2 0.958402277276148 2.60264855357385 1 TRUE TRUE TRUE TRUE TRUE "inter" 1867 +"298" NA NA 3 113.738670349121 3244.43115234375 0.378785607162215 NA 1 2 0.916804554552295 0.188394416818863 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1868 +"298" NA NA 4 115.773323059082 2838.77758789062 0.331425769799695 NA 1 2 0.916804554552295 0.164839327153782 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1869 +"298" NA NA 5 123.003398895264 4121.5126953125 0.489292540853624 10.6454325103887 2 2 0.958402277276148 0.183339110913637 1 TRUE TRUE TRUE TRUE TRUE "inter" 1870 +"298" NA NA 6 130.049285888672 3339.44555664062 0.402097866534155 NA 1 2 1 0.109539580421326 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1871 +"298" NA NA 7 135.772277832031 3055.81420898438 0.367946221346229 NA 1 2 1 0.100235982476805 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1872 +"298" NA NA 8 146.019088745117 20828.4692382812 2.48168457446847 44.0337204189562 2 2 0.958402277276148 0.864402314267566 1 TRUE TRUE TRUE TRUE TRUE "inter" 1873 +"298" NA NA 9 148.2451171875 3183.01879882812 0.371615747633258 NA 1 2 0.916804554552295 0.184828385060817 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1874 +"298" NA NA 10 154.949859619141 3207.18774414062 0.374437459112034 NA 1 2 0.916804554552295 0.18623180345482 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1875 +"298" NA NA 11 170.042404174805 13054.3935546875 1.54525609690323 16.1122097314208 2 2 0.958402277276148 0.611906578149761 1 TRUE TRUE TRUE TRUE TRUE "inter" 1876 +"298" NA NA 12 176.162475585938 3204.0498046875 0.385795057557413 NA 1 2 1 0.105098365971735 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1877 +"298" NA NA 13 176.406677246094 3311.90942382812 0.398782280138536 NA 1 2 1 0.108636347718906 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1878 +"298" NA NA 14 176.992706298828 5391.88793945312 0.637303940571556 29.5443067708777 2 2 0.958402277276148 0.259206660992393 1 TRUE TRUE TRUE TRUE TRUE "inter" 1879 +"298" NA NA 15 186.912040710449 34291.3681640625 4.06341763033249 6.35484592311945 2 2 0.958402277276148 1.57747231049816 1 TRUE TRUE TRUE TRUE TRUE "inter" 1880 +"298" NA NA 16 186.995277404785 71035.099609375 8.47189034182078 52.9046361376496 2 2 0.958402277276148 2.89173908757258 1 TRUE TRUE TRUE TRUE TRUE "inter" 1881 +"298" NA NA 17 192.990707397461 8688.34057617188 1.02121046688802 80.4664386161655 2 2 0.958402277276148 0.457199030582948 1 TRUE TRUE TRUE TRUE TRUE "inter" 1882 +"298" NA NA 18 204.922706604004 23608.8330078125 2.81211927525208 41.2770131591181 2 2 0.958402277276148 0.985603782090423 1 TRUE TRUE TRUE TRUE TRUE "inter" 1883 +"298" NA NA 19 252.058502197266 5009.93701171875 0.584907474907416 NA 1 2 0.916804554552295 0.290912063564722 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1884 +"298" NA NA 20 269.039306640625 5043.013671875 0.607222068445217 NA 1 2 1 0.165419556122934 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1885 +"298" NA NA 21 269.085510253906 8565.349609375 1 NA 1 2 0.916804554552295 0.497364243140798 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1886 +"298" NA NA 22 269.111618041992 15797.35546875 1.87338926135164 0.755255896355104 2 2 0.958402277276148 0.716677112991052 1 TRUE TRUE TRUE TRUE TRUE "inter" 1887 +"298" NA NA 23 273.454193115234 2715.39135742188 0.317020493179847 NA 1 2 0.916804554552295 0.157674657650517 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1888 +"298" NA NA 24 276.519256591797 3091.81103515625 0.36096728985495 NA 1 2 0.916804554552295 0.179532222917292 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1889 +"303" "1" "LCMSMS_2.mzML" 1 100.076187133789 11787.0771484375 0.650089215063846 97.9290266241409 2 2 1 1.40321755337677 1 TRUE TRUE TRUE TRUE TRUE "intra" 1890 +"303" "1" "LCMSMS_2.mzML" 2 110.071624755859 6275.3115234375 0.478595574640699 NA 1 2 1 1.10644478012651 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1891 +"303" "1" "LCMSMS_2.mzML" 3 112.087253570557 252621.90625 15.1561947360495 43.0291466847301 2 2 1 33.3923605116946 1 TRUE TRUE TRUE TRUE TRUE "intra" 1892 +"303" "1" "LCMSMS_2.mzML" 4 113.071655273438 4598.30322265625 0.235967154064722 NA 1 2 1 0.499562392717414 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1893 +"303" "1" "LCMSMS_2.mzML" 5 114.05598449707 3411.90991210938 0.175086033456617 NA 1 2 1 0.370671918944271 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1894 +"303" "1" "LCMSMS_2.mzML" 6 114.103385925293 3633.01293945312 0.186432186502884 NA 1 2 1 0.394692683132393 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1895 +"303" "1" "LCMSMS_2.mzML" 7 115.086818695068 27057.41015625 1.64811054844621 32.6446087644104 2 2 1 3.64376433971986 1 TRUE TRUE TRUE TRUE TRUE "intra" 1896 +"303" "1" "LCMSMS_2.mzML" 8 116.070896148682 405705.796875 24.612787796405 35.4222570911043 2 2 1 54.3659054766719 1 TRUE TRUE TRUE TRUE TRUE "intra" 1897 +"303" "1" "LCMSMS_2.mzML" 9 125.071640014648 3976.06372070312 0.303240164908269 NA 1 2 1 0.701048056784357 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1898 +"303" "1" "LCMSMS_2.mzML" 10 127.050193786621 6445.1923828125 0.330742369593746 NA 1 2 1 0.700209527814029 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1899 +"303" "1" "LCMSMS_2.mzML" 11 128.070823669434 6600.75708007812 0.407326691481338 23.6042684235177 2 2 1 0.903188165783752 1 TRUE TRUE TRUE TRUE TRUE "intra" 1900 +"303" "1" "LCMSMS_2.mzML" 12 130.097663879395 17304.2758789062 1.0552930906927 31.8180520096241 2 2 1 2.33375263190425 1 TRUE TRUE TRUE TRUE TRUE "intra" 1901 +"303" "1" "LCMSMS_2.mzML" 13 138.055297851562 6954.76220703125 0.530414849132499 NA 1 2 1 1.22624355974213 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1902 +"303" "1" "LCMSMS_2.mzML" 14 140.081802368164 42599.962890625 2.62649978360838 24.2176567693793 2 2 1 5.82274308286538 1 TRUE TRUE TRUE TRUE TRUE "intra" 1903 +"303" "1" "LCMSMS_2.mzML" 15 141.258346557617 3243.73388671875 0.166455889646654 NA 1 2 1 0.352401175677951 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1904 +"303" "1" "LCMSMS_2.mzML" 16 144.065307617188 4190.72900390625 0.215052019979016 NA 1 2 1 0.455283287562825 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1905 +"303" "1" "LCMSMS_2.mzML" 17 151.12313079834 14858.5131835938 0.914409677292041 25.508279298981 2 2 1 2.02633595179132 1 TRUE TRUE TRUE TRUE TRUE "intra" 1906 +"303" "1" "LCMSMS_2.mzML" 18 154.034561157227 3980.0673828125 0.20424167955709 NA 1 2 1 0.432396883950118 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1907 +"303" "1" "LCMSMS_2.mzML" 19 157.108322143555 91920.54296875 5.56127983758934 37.3000506148304 2 2 1 12.2763534806015 1 TRUE TRUE TRUE TRUE TRUE "intra" 1908 +"303" "1" "LCMSMS_2.mzML" 20 158.092430114746 96465.91796875 5.89989491697937 29.8242264375043 2 2 1 13.0559607314925 1 TRUE TRUE TRUE TRUE TRUE "intra" 1909 +"303" "1" "LCMSMS_2.mzML" 21 167.118408203125 5790.71630859375 0.297157186286143 NA 1 2 1 0.629106858463713 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1910 +"303" "1" "LCMSMS_2.mzML" 22 168.990570068359 5556.48046875 0.423772900036763 NA 1 2 1 0.979702567364431 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1911 +"303" "1" "LCMSMS_2.mzML" 23 172.952041625977 5756.025390625 0.438991477822856 NA 1 2 1 1.01488575092189 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1912 +"303" "1" "LCMSMS_2.mzML" 24 172.985656738281 6526.55126953125 0.497756731852613 NA 1 2 1 1.15074264559303 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1913 +"303" "1" "LCMSMS_2.mzML" 25 173.092254638672 4668.1748046875 0.239552693678699 NA 1 2 1 0.507153282881094 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1914 +"303" "1" "LCMSMS_2.mzML" 26 175.118911743164 419561.875 25.5031038089211 34.0789951979012 2 2 1 56.3575149361351 1 TRUE TRUE TRUE TRUE TRUE "intra" 1915 +"303" "1" "LCMSMS_2.mzML" 27 181.98592376709 16487.8764648438 1.06467701372278 8.86545793220042 2 2 1 2.3841487871012 1 TRUE TRUE TRUE TRUE TRUE "intra" 1916 +"303" "1" "LCMSMS_2.mzML" 28 192.11311340332 15918.8686523438 0.976736747635914 27.593672589286 2 2 1 2.16299921522838 1 TRUE TRUE TRUE TRUE TRUE "intra" 1917 +"303" "1" "LCMSMS_2.mzML" 29 194.129119873047 16881.3732910156 0.919384529985345 105.764980825659 2 2 1 1.97802744267434 1 TRUE TRUE TRUE TRUE TRUE "intra" 1918 +"303" "1" "LCMSMS_2.mzML" 30 195.113021850586 88153.34765625 5.3171888723081 39.3797309837892 2 2 1 11.7293635531669 1 TRUE TRUE TRUE TRUE TRUE "intra" 1919 +"303" "1" "LCMSMS_2.mzML" 31 196.081298828125 3017.048828125 0.230099527684414 NA 1 2 1 0.531957324317358 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1920 +"303" "1" "LCMSMS_2.mzML" 32 196.096382141113 34165.685546875 2.03936869827388 46.4868607647783 2 2 1 4.48786158667949 1 TRUE TRUE TRUE TRUE TRUE "intra" 1921 +"303" "1" "LCMSMS_2.mzML" 33 199.995834350586 3417.10375976562 0.260610287059673 NA 1 2 1 0.602493852938198 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1922 +"303" "1" "LCMSMS_2.mzML" 34 209.139068603516 5848.64697265625 0.300129964128317 NA 1 2 1 0.6354004802084 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1923 +"303" "1" "LCMSMS_2.mzML" 35 212.139427185059 3825.76684570312 0.236864952788041 21.2919161997857 2 2 1 0.525600218105471 1 TRUE TRUE TRUE TRUE TRUE "intra" 1924 +"303" "1" "LCMSMS_2.mzML" 36 213.123260498047 236411.0078125 14.2227716531499 41.1514171214218 2 2 1 31.3557697414419 1 TRUE TRUE TRUE TRUE TRUE "intra" 1925 +"303" "1" "LCMSMS_2.mzML" 37 213.143768310547 5725.1005859375 0.43663295353051 NA 1 2 1 1.00943317879139 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1926 +"303" "1" "LCMSMS_2.mzML" 38 226.11799621582 8838.80078125 0.45357310397025 NA 1 2 1 0.960252565615524 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1927 +"303" "1" "LCMSMS_2.mzML" 39 237.134162902832 4934.0205078125 0.300928723601576 31.7495533411665 2 2 1 0.66551081285941 1 TRUE TRUE TRUE TRUE TRUE "intra" 1928 +"303" "1" "LCMSMS_2.mzML" 40 238.117752075195 52792.4453125 2.70910430941786 NA 1 2 1 5.73540260846066 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1929 +"303" "1" "LCMSMS_2.mzML" 41 238.11897277832 25840.982421875 1.97079934363208 NA 1 2 1 4.55620729062426 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1930 +"303" "1" "LCMSMS_2.mzML" 42 254.161102294922 77688.982421875 4.69472019547613 38.1079658048751 2 2 1 10.3606538529121 1 TRUE TRUE TRUE TRUE TRUE "intra" 1931 +"303" "1" "LCMSMS_2.mzML" 43 255.14493560791 202720.796875 12.2658232989967 37.2428302062405 2 2 1 27.0769428245949 1 TRUE TRUE TRUE TRUE TRUE "intra" 1932 +"303" "1" "LCMSMS_2.mzML" 44 272.171401977539 743813.09375 45.2450160588049 33.5871056188655 2 2 1 100 1 TRUE TRUE TRUE TRUE TRUE "intra" 1933 +"303" "2" "LCMSMS_1.mzML" 1 100.076290130615 15373.1440429688 1.00569262555867 26.4650176494211 2 2 1 2.43882042993523 1 TRUE TRUE TRUE TRUE TRUE "intra" 1934 +"303" "2" "LCMSMS_1.mzML" 2 110.023941040039 4066.50732421875 0.236775609170289 NA 1 2 1 0.454856129130559 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1935 +"303" "2" "LCMSMS_1.mzML" 3 110.071594238281 5312.72412109375 0.403361812145127 NA 1 2 1 1.20583733908602 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1936 +"303" "2" "LCMSMS_1.mzML" 4 112.087249755859 238432.75 15.2354690712526 50.7636973934278 2 2 1 35.4673545062256 1 TRUE TRUE TRUE TRUE TRUE "intra" 1937 +"303" "2" "LCMSMS_1.mzML" 5 115.086750030518 32197.478515625 2.07425067999819 42.3832755729555 2 2 1 4.89926064552626 1 TRUE TRUE TRUE TRUE TRUE "intra" 1938 +"303" "2" "LCMSMS_1.mzML" 6 116.070880889893 355083.203125 22.8683361196264 42.7031313694556 2 2 1 53.9842529284807 1 TRUE TRUE TRUE TRUE TRUE "intra" 1939 +"303" "2" "LCMSMS_1.mzML" 7 123.485488891602 3156.89135742188 0.23968295542002 NA 1 2 1 0.716524590295036 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1940 +"303" "2" "LCMSMS_1.mzML" 8 125.071365356445 8344.171875 0.485846015070018 NA 1 2 1 0.933331091587728 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1941 +"303" "2" "LCMSMS_1.mzML" 9 127.05054473877 6366.69580078125 0.370705904709398 NA 1 2 1 0.712141987313771 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1942 +"303" "2" "LCMSMS_1.mzML" 10 128.070617675781 5714.35791015625 0.332723014449322 NA 1 2 1 0.639175221448696 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1943 +"303" "2" "LCMSMS_1.mzML" 11 129.674026489258 3974.34008789062 0.231409098848972 NA 1 2 1 0.444546831985268 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1944 +"303" "2" "LCMSMS_1.mzML" 12 130.050064086914 8027.97314453125 0.467435093594549 NA 1 2 1 0.89796291956442 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1945 +"303" "2" "LCMSMS_1.mzML" 13 130.097694396973 14736.3837890625 0.966864409418694 23.3981734112227 2 2 1 2.3561978441656 1 TRUE TRUE TRUE TRUE TRUE "intra" 1946 +"303" "2" "LCMSMS_1.mzML" 14 130.525375366211 2623.5224609375 0.199187601299601 NA 1 2 1 0.595465014034645 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1947 +"303" "2" "LCMSMS_1.mzML" 15 134.102203369141 2664.96557617188 0.202334117038204 NA 1 2 1 0.604871422998973 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1948 +"303" "2" "LCMSMS_1.mzML" 16 138.054794311523 6436.328125 0.488670015021628 NA 1 2 1 1.46086350482974 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1949 +"303" "2" "LCMSMS_1.mzML" 17 140.081733703613 35041.626953125 2.30650427629151 20.0237906508685 2 2 1 5.65092503880238 1 TRUE TRUE TRUE TRUE TRUE "intra" 1950 +"303" "2" "LCMSMS_1.mzML" 18 151.123085021973 15857.6005859375 1.04885138321574 14.9091074770862 2 2 1 2.590257963393 1 TRUE TRUE TRUE TRUE TRUE "intra" 1951 +"303" "2" "LCMSMS_1.mzML" 19 157.1083984375 86879.818359375 5.57077781539358 47.2139438679192 2 2 1 13.0490689122403 1 TRUE TRUE TRUE TRUE TRUE "intra" 1952 +"303" "2" "LCMSMS_1.mzML" 20 158.092399597168 93229.7265625 5.99557603350215 44.1902385911636 2 2 1 14.1175379899601 1 TRUE TRUE TRUE TRUE TRUE "intra" 1953 +"303" "2" "LCMSMS_1.mzML" 21 167.118255615234 6129.56298828125 0.356898658918997 NA 1 2 1 0.685617674289371 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1954 +"303" "2" "LCMSMS_1.mzML" 22 168.10139465332 3220.1953125 0.244489227579887 NA 1 2 1 0.730892788418095 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1955 +"303" "2" "LCMSMS_1.mzML" 23 168.990631103516 13845.9501953125 1.05123613316903 NA 1 2 1 3.14263706529447 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1956 +"303" "2" "LCMSMS_1.mzML" 24 172.985427856445 7066.3515625 0.536503742061003 NA 1 2 1 1.60386091409112 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1957 +"303" "2" "LCMSMS_1.mzML" 25 175.118942260742 381651.3125 24.6114190903196 41.362142104604 2 2 1 58.2317732099048 1 TRUE TRUE TRUE TRUE TRUE "intra" 1958 +"303" "2" "LCMSMS_1.mzML" 26 176.587432861328 2728.27294921875 0.207140648702994 NA 1 2 1 0.619240396903767 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1959 +"303" "2" "LCMSMS_1.mzML" 27 181.986305236816 13435.4860839844 0.983283576593225 97.6608646813215 2 2 1 2.8101796876902 1 TRUE TRUE TRUE TRUE TRUE "intra" 1960 +"303" "2" "LCMSMS_1.mzML" 28 182.080230712891 3442.48120117188 0.200441193997194 NA 1 2 1 0.385056154809848 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1961 +"303" "2" "LCMSMS_1.mzML" 29 185.103530883789 4269.2392578125 0.248579836544736 NA 1 2 1 0.477532557626436 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1962 +"303" "2" "LCMSMS_1.mzML" 30 192.112907409668 7351.9912109375 0.480530882967689 27.3944318849207 2 2 1 1.16355071659512 1 TRUE TRUE TRUE TRUE TRUE "intra" 1963 +"303" "2" "LCMSMS_1.mzML" 31 194.128868103027 12971.6772460938 0.80375061646339 81.7110296040705 2 2 1 1.76617719344015 1 TRUE TRUE TRUE TRUE TRUE "intra" 1964 +"303" "2" "LCMSMS_1.mzML" 32 195.11287689209 78120.83984375 5.05023349481855 38.8087584693483 2 2 1 12.0007437270133 1 TRUE TRUE TRUE TRUE TRUE "intra" 1965 +"303" "2" "LCMSMS_1.mzML" 33 196.096473693848 27304.5727539062 1.73464746098663 56.6582538835501 2 2 1 3.99610433394919 1 TRUE TRUE TRUE TRUE TRUE "intra" 1966 +"303" "2" "LCMSMS_1.mzML" 34 199.996536254883 4580.322265625 0.347755134119559 NA 1 2 1 1.03960293948044 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1967 +"303" "2" "LCMSMS_1.mzML" 35 209.092132568359 3605.17626953125 0.209914243188663 NA 1 2 1 0.403254289750327 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1968 +"303" "2" "LCMSMS_1.mzML" 36 209.139144897461 4868.466796875 0.283470334527644 NA 1 2 1 0.544558704920727 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1969 +"303" "2" "LCMSMS_1.mzML" 37 212.139236450195 6368.39599609375 0.370804899927832 NA 1 2 1 0.712332161386249 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1970 +"303" "2" "LCMSMS_1.mzML" 38 213.123268127441 211089.609375 13.5038968304035 49.5818240750502 2 2 1 31.5015460906352 1 TRUE TRUE TRUE TRUE TRUE "intra" 1971 +"303" "2" "LCMSMS_1.mzML" 39 213.143600463867 4656.78369140625 0.353560370484058 NA 1 2 1 1.05695750939698 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1972 +"303" "2" "LCMSMS_1.mzML" 40 223.013259887695 3245.58422851562 0.246416848690835 NA 1 2 1 0.736655350567521 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1973 +"303" "2" "LCMSMS_1.mzML" 41 226.118873596191 7191.25927734375 0.465692580096032 37.0234523551092 2 2 1 1.10993003431947 1 TRUE TRUE TRUE TRUE TRUE "intra" 1974 +"303" "2" "LCMSMS_1.mzML" 42 232.815322875977 2904.64306640625 0.220531325210088 NA 1 2 1 0.659271399447126 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1975 +"303" "2" "LCMSMS_1.mzML" 43 238.118087768555 36539.4365234375 2.3273183571117 54.0409292284461 2 2 1 5.38657753156301 1 TRUE TRUE TRUE TRUE TRUE "intra" 1976 +"303" "2" "LCMSMS_1.mzML" 44 254.160888671875 74828.216796875 4.83535694866725 39.2402328792925 2 2 1 11.4817979201974 1 TRUE TRUE TRUE TRUE TRUE "intra" 1977 +"303" "2" "LCMSMS_1.mzML" 45 255.11735534668 6694.04296875 0.389765952786616 NA 1 2 1 0.748757159458511 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1978 +"303" "2" "LCMSMS_1.mzML" 46 255.122634887695 4730.10205078125 0.275413937616978 NA 1 2 1 0.529082019943054 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 1979 +"303" "2" "LCMSMS_1.mzML" 47 255.14493560791 192567.875 12.3731491784762 45.0893526776631 2 2 1 29.0895902272769 1 TRUE TRUE TRUE TRUE TRUE "intra" 1980 +"303" "2" "LCMSMS_1.mzML" 48 272.171432495117 667302.1875 42.7529100068234 48.048426450601 2 2 1 100 1 TRUE TRUE TRUE TRUE TRUE "intra" 1981 +"303" NA NA 1 100.076238632202 13580.1105957031 0.827890920311256 18.6723974082653 2 2 1 1.921018991656 1 TRUE TRUE TRUE TRUE TRUE "inter" 1982 +"303" NA NA 2 110.023941040039 4066.50732421875 0.236775609170289 NA 1 2 1 0.454856129130559 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1983 +"303" NA NA 3 110.07160949707 5794.01782226562 0.440978693392913 11.7474971696904 2 2 1 1.15614105960626 1 TRUE TRUE TRUE TRUE TRUE "inter" 1984 +"303" NA NA 4 112.087251663208 245527.328125 15.195831903651 4.08640809164122 2 2 1 34.4298575089601 1 TRUE TRUE TRUE TRUE TRUE "inter" 1985 +"303" NA NA 5 113.071655273438 4598.30322265625 0.235967154064722 NA 1 2 1 0.499562392717414 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1986 +"303" NA NA 6 114.05598449707 3411.90991210938 0.175086033456617 NA 1 2 1 0.370671918944271 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1987 +"303" NA NA 7 114.103385925293 3633.01293945312 0.186432186502884 NA 1 2 1 0.394692683132393 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1988 +"303" NA NA 8 115.086784362793 29627.4443359375 1.8611806142222 12.2676028059153 2 2 1 4.27151249262306 1 TRUE TRUE TRUE TRUE TRUE "inter" 1989 +"303" NA NA 9 116.070888519287 380394.5 23.7405619580157 9.41012010475355 2 2 1 54.1750792025763 1 TRUE TRUE TRUE TRUE TRUE "inter" 1990 +"303" NA NA 10 123.485488891602 3156.89135742188 0.23968295542002 NA 1 2 1 0.716524590295036 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1991 +"303" NA NA 11 125.071502685547 6160.11779785156 0.394543089989143 50.1405816936945 2 2 1 0.817189574186043 1 TRUE TRUE TRUE TRUE TRUE "inter" 1992 +"303" NA NA 12 127.050369262695 6405.94409179688 0.350724137151572 0.866468152997783 2 2 1 0.7061757575639 1 TRUE TRUE TRUE TRUE TRUE "inter" 1993 +"303" NA NA 13 128.070720672607 6157.55749511719 0.37002485296533 10.1790176443648 2 2 1 0.771181693616224 1 TRUE TRUE TRUE TRUE TRUE "inter" 1994 +"303" NA NA 14 129.674026489258 3974.34008789062 0.231409098848972 NA 1 2 1 0.444546831985268 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1995 +"303" NA NA 15 130.050064086914 8027.97314453125 0.467435093594549 NA 1 2 1 0.89796291956442 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1996 +"303" NA NA 16 130.097679138184 16020.3298339844 1.0110787500557 11.3341855561048 2 2 1 2.34497523803493 1 TRUE TRUE TRUE TRUE TRUE "inter" 1997 +"303" NA NA 17 130.525375366211 2623.5224609375 0.199187601299601 NA 1 2 1 0.595465014034645 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1998 +"303" NA NA 18 134.102203369141 2664.96557617188 0.202334117038204 NA 1 2 1 0.604871422998973 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 1999 +"303" NA NA 19 138.055046081543 6695.54516601562 0.509542432077064 5.47510689440496 2 2 1 1.34355353228594 1 TRUE TRUE TRUE TRUE TRUE "inter" 2000 +"303" NA NA 20 140.081768035889 38820.794921875 2.46650202994995 13.7672363655816 2 2 1 5.73683406083388 1 TRUE TRUE TRUE TRUE TRUE "inter" 2001 +"303" NA NA 21 141.258346557617 3243.73388671875 0.166455889646654 NA 1 2 1 0.352401175677951 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 2002 +"303" NA NA 22 144.065307617188 4190.72900390625 0.215052019979016 NA 1 2 1 0.455283287562825 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 2003 +"303" NA NA 23 151.123107910156 15358.0568847656 0.981630530253892 4.59994049049324 2 2 1 2.30829695759216 1 TRUE TRUE TRUE TRUE TRUE "inter" 2004 +"303" NA NA 24 154.034561157227 3980.0673828125 0.20424167955709 NA 1 2 1 0.432396883950118 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 2005 +"303" NA NA 25 157.108360290527 89400.1806640625 5.56602882649146 3.9869388707128 2 2 1 12.6627111964209 1 TRUE TRUE TRUE TRUE TRUE "inter" 2006 +"303" NA NA 26 158.092414855957 94847.822265625 5.94773547524076 2.41263619334183 2 2 1 13.5867493607263 1 TRUE TRUE TRUE TRUE TRUE "inter" 2007 +"303" NA NA 27 167.11833190918 5960.1396484375 0.32702792260257 4.02005320550485 2 2 1 0.657362266376542 1 TRUE TRUE TRUE TRUE TRUE "inter" 2008 +"303" NA NA 28 168.10139465332 3220.1953125 0.244489227579887 NA 1 2 1 0.730892788418095 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 2009 +"303" NA NA 29 168.990600585938 9701.21533203125 0.737504516602896 60.4206798372926 2 2 1 2.06116981632945 1 TRUE TRUE TRUE TRUE TRUE "inter" 2010 +"303" NA NA 30 172.952041625977 5756.025390625 0.438991477822856 NA 1 2 1 1.01488575092189 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 2011 +"303" NA NA 31 172.985542297363 6796.45141601562 0.517130236956808 5.61611382588909 2 2 1 1.37730177984207 1 TRUE TRUE TRUE TRUE TRUE "inter" 2012 +"303" NA NA 32 173.092254638672 4668.1748046875 0.239552693678699 NA 1 2 1 0.507153282881094 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 2013 +"303" NA NA 33 175.118927001953 400606.59375 25.0572614496203 6.69155631499049 2 2 1 57.2946440730199 1 TRUE TRUE TRUE TRUE TRUE "inter" 2014 +"303" NA NA 34 176.587432861328 2728.27294921875 0.207140648702994 NA 1 2 1 0.619240396903767 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 2015 +"303" NA NA 35 181.986114501953 14961.6812744141 1.023980295158 14.4259585373287 2 2 1 2.5971642373957 1 TRUE TRUE TRUE TRUE TRUE "inter" 2016 +"303" NA NA 36 182.080230712891 3442.48120117188 0.200441193997194 NA 1 2 1 0.385056154809848 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 2017 +"303" NA NA 37 185.103530883789 4269.2392578125 0.248579836544736 NA 1 2 1 0.477532557626436 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 2018 +"303" NA NA 38 192.113010406494 11635.4299316406 0.728633815301801 52.062512240648 2 2 1 1.66327496591175 1 TRUE TRUE TRUE TRUE TRUE "inter" 2019 +"303" NA NA 39 194.128993988037 14926.5252685547 0.861567573224368 18.5212066170989 2 2 1 1.87210231805725 1 TRUE TRUE TRUE TRUE TRUE "inter" 2020 +"303" NA NA 40 195.112949371338 83137.09375 5.18371118356333 8.53295922017453 2 2 1 11.8650536400901 1 TRUE TRUE TRUE TRUE TRUE "inter" 2021 +"303" NA NA 41 196.081298828125 3017.048828125 0.230099527684414 NA 1 2 1 0.531957324317358 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 2022 +"303" NA NA 42 196.09642791748 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200.139541625977 11040.3430175781 1.05311561390071 56.8818406557597 2 3 1 8.91881939617962 0.666666666666667 TRUE TRUE TRUE TRUE TRUE "intra" 2880 +"373" "1" "LCMSMS_2.mzML" 68 211.108421325684 14805.8862304688 1.70395918391418 14.5776590131621 2 3 1 12.3075624377698 0.666666666666667 TRUE TRUE TRUE TRUE TRUE "intra" 2881 +"373" "1" "LCMSMS_2.mzML" 70 223.107292175293 15609.9038085938 1.15141940277736 39.8942332951045 2 3 0.750958844283548 10.2863598721676 0.666666666666667 TRUE TRUE TRUE TRUE TRUE "intra" 2882 +"373" "2" "LCMSMS_1.mzML" 1 101.071395874023 18300.72265625 1.48077998320408 NA 1 1 1 14.8344345152452 1 TRUE TRUE TRUE TRUE TRUE "intra" 2883 +"373" "2" "LCMSMS_1.mzML" 2 110.023971557617 88799.8046875 7.18512464035263 NA 1 1 1 71.9804847243782 1 TRUE TRUE TRUE TRUE TRUE "intra" 2884 +"373" "2" "LCMSMS_1.mzML" 3 110.071678161621 4078.85327148438 0.330035288348453 NA 1 1 1 3.30628920451206 1 TRUE TRUE TRUE TRUE TRUE "intra" 2885 +"373" "2" "LCMSMS_1.mzML" 4 113.108039855957 4713.57666015625 0.381393133963133 NA 1 1 1 3.82079143053929 1 TRUE TRUE TRUE TRUE TRUE "intra" 2886 +"373" "2" "LCMSMS_1.mzML" 5 124.075775146484 4389.90283203125 0.355203472779953 NA 1 1 1 3.55842374715279 1 TRUE TRUE TRUE TRUE TRUE "intra" 2887 +"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" 2888 +"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" 2889 +"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" 2890 +"373" "2" "LCMSMS_1.mzML" 9 130.049957275391 123366.5 9.98204536669255 NA 1 1 1 100 1 TRUE TRUE TRUE TRUE TRUE "intra" 2891 +"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" 2892 +"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" 2893 +"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" 2894 +"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" 2895 +"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" 2896 +"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" 2897 +"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" 2898 +"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" 2899 +"373" 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169.234603881836 2946.80346679688 0.238436900554796 NA 1 2 1 2.38865775295309 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 2949 +"373" NA NA 27 170.044723510742 57504.55078125 4.65290848560763 NA 1 2 1 46.612776386823 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 2950 +"373" NA NA 28 171.112854003906 12748.3640136719 0.968943239367684 NA 1 2 0.750958844283548 6.33636570769001 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 2951 +"373" NA NA 29 172.071979522705 11317.8649902344 1.1648078294159 13.0074069376282 2 2 0.875479422141774 8.87040910269455 1 TRUE TRUE TRUE TRUE TRUE "inter" 2952 +"373" NA NA 30 173.055679321289 109214.0390625 8.83691676915214 NA 1 2 1 88.528116678758 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 2953 +"373" NA NA 31 182.128730773926 32297.4630126953 2.51471329869618 40.3243739052921 2 2 1 25.6485339380692 1 TRUE TRUE TRUE TRUE TRUE "inter" 2954 +"373" NA NA 32 183.112915039062 74432.189453125 6.4202135880395 6.66699421394901 2 2 1 60.0289746449567 1 TRUE TRUE TRUE TRUE TRUE "inter" 2955 +"373" NA NA 33 186.087818145752 7772.79504394531 0.716697805570817 28.2159747223763 2 2 1 6.31186677524846 1 TRUE TRUE TRUE TRUE TRUE "inter" 2956 +"373" NA NA 34 187.071319580078 66795.359375 5.40466259126896 NA 1 2 1 54.143839190542 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 2957 +"373" NA NA 35 190.082260131836 98184.53125 7.94447800046968 NA 1 2 1 79.5876767598984 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 2958 +"373" NA NA 36 199.107223510742 8201.62841796875 0.750877926163086 37.2344077740505 2 2 1 6.64850408976767 1 TRUE TRUE TRUE TRUE TRUE "inter" 2959 +"373" NA NA 37 200.139831542969 11876.6729736328 1.04088613753863 9.9585899948347 2 2 1 9.61194419071443 1 TRUE TRUE TRUE TRUE TRUE "inter" 2960 +"373" NA NA 38 204.097839355469 68957.71875 5.57962718360435 NA 1 2 1 55.8966321894518 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 2961 +"373" NA NA 39 211.107936859131 18790.6638183594 1.77340270667476 29.9900342122522 2 2 1 15.3845859374471 1 TRUE TRUE TRUE TRUE TRUE "inter" 2962 +"373" NA NA 40 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119.232276277392 2 3 0.960807836361726 15.3697120615945 0.666666666666667 TRUE TRUE TRUE TRUE TRUE "intra" 3765 +"443" "2" "LCMSMS_1.mzML" 23 157.133659362793 76408.0869140625 11.1724874474828 130.36697992884 2 3 0.960807836361726 48.1497125548738 0.666666666666667 TRUE TRUE TRUE TRUE TRUE "intra" 3766 +"443" "2" "LCMSMS_1.mzML" 44 233.113571166992 44630.1259765625 4.38170904147395 77.2051093021511 2 3 0.960807836361726 32.712786461961 0.666666666666667 TRUE TRUE TRUE TRUE TRUE "intra" 3767 +"443" NA NA 1 102.055431365967 27022.8269042969 2.580204470874 4.70823731404197 2 2 0.948064195281008 18.883536880683 1 TRUE TRUE TRUE TRUE TRUE "inter" 3768 +"443" NA NA 2 109.076393127441 4476.58837890625 0.585548136520692 NA 1 2 0.967660277100145 3.99613952818142 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 3769 +"443" NA NA 3 130.049758911133 24178.3735351562 3.47308116737801 NA 1 2 0.960807836361726 15.3697120615945 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 3770 +"443" NA NA 4 157.133674621582 64029.02734375 7.35283306330965 27.3417146254202 2 2 0.939035879939149 43.7466430015162 1 TRUE TRUE TRUE TRUE TRUE "inter" 3771 +"443" NA NA 5 201.086990356445 60467.7214355469 9.25120013568829 NA 1 2 0.917263923516572 51.4336918274298 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 3772 +"443" NA NA 6 219.097457885742 39047.7158203125 2.67528015105792 NA 1 2 0.917263923516572 29.7483853938028 0.5 TRUE TRUE TRUE TRUE TRUE "inter" 3773 +"443" NA NA 7 233.113388061523 43867.30859375 3.69744103170231 2.45920418409505 2 2 0.955205741389076 36.2716020769811 1 TRUE TRUE TRUE TRUE TRUE "inter" 3774 +"450" "1" "LCMSMS_2.mzML" 1 102.055374145508 34924.125 6.58997603179643 NA 1 2 1 6.11659163766102 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 3775 +"450" "1" "LCMSMS_2.mzML" 2 105.638916015625 2670.29809570312 0.836407490542991 NA 1 2 1 18.9515322206549 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 3776 +"450" "1" "LCMSMS_2.mzML" 3 115.054656982422 6235.50390625 1.17660274347204 NA 1 2 1 1.09208265202267 0.5 TRUE TRUE TRUE 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21.3776276731567 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 3784 +"450" "1" "LCMSMS_2.mzML" 11 132.081115722656 124344.254394531 23.8946697369936 133.537057643842 2 2 1 45.770146943019 1 TRUE TRUE TRUE TRUE TRUE "intra" 3785 +"450" "1" "LCMSMS_2.mzML" 12 132.654556274414 3404.462890625 0.642402031557244 NA 1 2 1 0.596255718576318 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 3786 +"450" "1" "LCMSMS_2.mzML" 13 142.065338134766 21583.1640625 4.07261553044507 NA 1 2 1 3.78006323190498 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 3787 +"450" "1" "LCMSMS_2.mzML" 14 144.081016540527 114671.080444336 21.837402086558 137.467036316905 2 2 1 31.1806329944909 1 TRUE TRUE TRUE TRUE TRUE "intra" 3788 +"450" "1" "LCMSMS_2.mzML" 15 146.03205871582 3363.439453125 0.634661151295623 NA 1 2 1 0.589070896773034 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 3789 +"450" "1" "LCMSMS_2.mzML" 16 148.061050415039 5300.45068359375 1.0001637252931 NA 1 2 1 0.928317955771381 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 3790 +"450" "1" "LCMSMS_2.mzML" 17 159.091682434082 292531.884277344 56.0763761639784 134.60962965918 2 2 1 100 1 TRUE TRUE TRUE TRUE TRUE "intra" 3791 +"450" "1" "LCMSMS_2.mzML" 18 160.075546264648 34526.1875 6.51488757683434 NA 1 2 1 6.04689708740925 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 3792 +"450" "1" "LCMSMS_2.mzML" 19 160.095016479492 10559.4853515625 3.30750812373263 NA 1 2 1 74.9423546366181 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 3793 +"450" "1" "LCMSMS_2.mzML" 20 161.097595214844 4805.8994140625 1.50533390829521 NA 1 2 1 34.1082359836119 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 3794 +"450" "1" "LCMSMS_2.mzML" 21 170.059982299805 211147.203125 39.842229627073 NA 1 2 1 36.9802025662744 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 3795 +"450" "1" "LCMSMS_2.mzML" 22 170.158843994141 3004.7626953125 0.941170586799884 NA 1 2 1 21.3252809217325 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 3796 +"450" "1" "LCMSMS_2.mzML" 23 172.07551574707 4901.2236328125 0.924831939718134 NA 1 2 1 0.858397554320044 0.5 TRUE TRUE TRUE TRUE TRUE "intra" 3797 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