comparison test-data/really_small.mgf @ 9:92ac8e086317 draft

"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/ThermoRawFileParser commit 9bb883e027809047684fd6c45e9a6f1f3bf69351"
author galaxyp
date Wed, 17 Feb 2021 09:50:26 +0000
parents
children
comparison
equal deleted inserted replaced
8:26c6706bfb07 9:92ac8e086317
1 BEGIN IONS
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144 BEGIN IONS
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288 BEGIN IONS
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434 BEGIN IONS
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547 END IONS
548 BEGIN IONS
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700 END IONS
701 BEGIN IONS
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849 END IONS
850 BEGIN IONS
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1005 END IONS
1006 BEGIN IONS
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1567 528.0991821 4672.4199218750
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1569 531.1225586 19657.9609375000
1570 532.1271973 2643.2888183594
1571 580.8762207 1427.2808837891
1572 580.9244385 1488.6495361328
1573 690.3967285 1517.1046142578
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1576 989.1080933 1798.1259765625
1577 1143.7904053 1398.0166015625
1578 1388.0013428 1894.7780761719
1579 1622.3366699 1532.6431884766
1580 1755.4853516 1428.8819580078
1581 END IONS
1582 BEGIN IONS
1583 TITLE=controllerType=0 controllerNumber=1 scan=74 [PRECURSOR=controllerType=0 controllerNumber=1 scan=67]
1584 SCANS=74
1585 RTINSECONDS=90.780304064
1586 PEPMASS=791.7461
1587 CHARGE=2+
1588 120.4433899 1011.9790649414
1589 120.4800415 1104.9970703125
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1597 120.5920868 1586.6605224609
1598 120.5952301 1365.6202392578
1599 120.6045685 948.9490356445
1600 120.6325150 1502.2385253906
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1610 120.7191925 698.8880004883
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1620 128.2497864 1120.2524414063
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1629 134.2513733 823.4050903320
1630 136.4569397 988.1558227539
1631 136.4948730 1080.1130371094
1632 136.5108032 1023.9694824219
1633 136.5495758 1004.6923828125
1634 136.5533447 1164.9754638672
1635 136.6529999 1136.0356445313
1636 136.6569214 2169.2775878906
1637 136.6714020 1050.7037353516
1638 136.7057343 1236.8634033203
1639 136.7097473 1743.9051513672
1640 136.7354279 1134.2650146484
1641 136.7461243 877.5781860352
1642 136.7658386 1171.6452636719
1643 136.8128510 1013.2109985352
1644 136.8199768 817.4774780273
1645 136.8279724 1444.3067626953
1646 136.8801422 966.7174682617
1647 143.3842926 897.6591186523
1648 145.8336792 1449.7021484375
1649 145.9185486 1804.0408935547
1650 145.9228210 2147.9055175781
1651 145.9769897 1752.3287353516
1652 145.9813538 1133.6049804688
1653 146.0387573 1216.8829345703
1654 155.9619598 1520.2468261719
1655 156.0235748 1314.5501708984
1656 156.1169281 1092.2125244141
1657 156.1548462 1435.3872070313
1658 156.1596527 1846.7578125000
1659 156.2803650 1214.7749023438
1660 156.3372040 1005.9838256836
1661 156.3483276 1131.4738769531
1662 157.1330719 4016.2849121094
1663 167.4651031 1271.2825927734
1664 167.5122833 1862.3135986328
1665 167.5267181 1334.1838378906
1666 167.5717621 1179.5197753906
1667 167.5781860 1299.6885986328
1668 173.4560852 25709.9375000000
1669 179.9927216 1393.7017822266
1670 180.1423187 1233.9743652344
1671 180.1552887 1160.7160644531
1672 180.2152557 1231.2082519531
1673 180.2226105 1215.9123535156
1674 180.2615051 1288.5637207031
1675 180.3520355 1573.0208740234
1676 180.3613586 1177.8514404297
1677 188.1292725 1093.4211425781
1678 194.4996490 1604.9628906250
1679 205.9373322 1143.2596435547
1680 210.2331696 1237.0294189453
1681 210.2908325 1193.3165283203
1682 210.3681946 1474.5502929688
1683 228.0388184 1266.5063476563
1684 228.0671234 1219.4489746094
1685 228.0779877 1269.1165771484
1686 236.0821838 2509.0217285156
1687 239.1053772 17020.3750000000
1688 240.1090546 1813.7846679688
1689 248.2617798 1471.5744628906
1690 248.5546112 1325.0510253906
1691 261.0873108 47868.5390625000
1692 262.0065308 1883.2475585938
1693 262.0908813 3962.3466796875
1694 263.0833130 2126.8681640625
1695 270.9355469 1293.8626708984
1696 271.4905701 1925.0347900391
1697 292.0169983 2210.1931152344
1698 293.0243530 8438.2070312500
1699 310.0272827 2892.6352539063
1700 328.4980469 1302.6877441406
1701 364.3261108 1216.4595947266
1702 405.2327576 1444.6083984375
1703 405.5705261 1315.0454101563
1704 448.1430359 6699.9892578125
1705 449.1473694 1606.4825439453
1706 454.8897095 1519.0814208984
1707 499.0954590 3157.4948730469
1708 500.1024780 2691.9296875000
1709 500.7151184 1529.7421875000
1710 512.8793945 1407.5043945313
1711 528.0955811 1570.6256103516
1712 530.1154175 8055.5458984375
1713 531.1225586 10750.3642578125
1714 565.0724487 1497.8194580078
1715 583.0806885 1441.9901123047
1716 584.0327148 1560.6014404297
1717 616.9006958 1843.5528564453
1718 698.9143677 1492.9002685547
1719 798.8579712 1627.3214111328
1720 989.1608887 1548.4221191406
1721 1203.2437744 1483.9902343750
1722 1546.8973389 1709.4868164063
1723 END IONS
1724 BEGIN IONS
1725 TITLE=controllerType=0 controllerNumber=1 scan=75 [PRECURSOR=controllerType=0 controllerNumber=1 scan=67]
1726 SCANS=75
1727 RTINSECONDS=90.900305696
1728 PEPMASS=1024.85485839844
1729 CHARGE=2+
1730 120.4683762 1024.4509277344
1731 120.4974442 994.8487548828
1732 120.5065079 998.4558105469
1733 120.5418396 1131.2033691406
1734 120.5756149 928.5950927734
1735 120.5946198 926.8289794922
1736 120.6023941 996.9880981445
1737 120.6202240 846.6466064453
1738 120.6360703 862.2210083008
1739 120.6398315 1707.5712890625
1740 120.6637268 753.8229980469
1741 120.6762314 1226.3015136719
1742 120.6795654 965.5600585938
1743 120.6935883 1043.7059326172
1744 120.6984558 1193.4222412109
1745 120.7020187 972.2333374023
1746 120.7059326 1391.9243164063
1747 120.7499084 872.5737304688
1748 120.7574997 846.1070556641
1749 120.7953491 1074.0910644531
1750 120.8896637 814.5370483398
1751 125.7169876 1021.9732055664
1752 128.1010742 938.6622314453
1753 128.1897430 1031.7485351563
1754 128.2265015 1181.8405761719
1755 128.2299957 979.2520141602
1756 128.2512817 1003.8649902344
1757 128.2969208 1162.2478027344
1758 128.3094635 1025.3894042969
1759 128.3132629 1106.2731933594
1760 128.3228149 1060.9848632813
1761 128.3556671 1313.1997070313
1762 128.3602448 739.8054199219
1763 128.3694305 967.3507080078
1764 128.4605255 908.4684448242
1765 136.5077972 1273.5812988281
1766 136.5572510 1336.6610107422
1767 136.6329498 1434.9420166016
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1769 136.7058563 1211.9754638672
1770 136.7243042 966.6481323242
1771 136.7546997 1182.5899658203
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1773 136.7864380 1435.2241210938
1774 136.8400726 1501.5623779297
1775 136.8879700 909.2930908203
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1778 145.0045929 1041.3040771484
1779 145.8943939 1406.3742675781
1780 145.9655914 1605.6074218750
1781 145.9703522 1833.0837402344
1782 145.9956970 1326.2126464844
1783 146.0292053 1195.8955078125
1784 146.0418396 1614.9250488281
1785 146.0592499 1496.5390625000
1786 146.1185150 1462.8048095703
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1788 156.2031860 1065.9079589844
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1790 156.2889404 1319.0434570313
1791 156.3746033 1261.1524658203
1792 167.5972748 1192.8754882813
1793 167.6171265 1536.0189208984
1794 167.6258850 1344.8792724609
1795 167.6803589 1141.1112060547
1796 167.7478027 1103.6917724609
1797 167.8015442 1486.8937988281
1798 173.4593201 8315.1738281250
1799 177.6291656 1117.7141113281
1800 180.0196075 1194.4519042969
1801 180.1297302 1274.5269775391
1802 180.1966400 1940.0230712891
1803 180.2633972 1104.7478027344
1804 180.3345032 1142.5477294922
1805 180.3983765 1448.0633544922
1806 183.1453552 1350.2095947266
1807 194.3229675 1449.0792236328
1808 194.4493408 1190.1738281250
1809 194.4762573 1768.0648193359
1810 210.1769562 2199.8129882813
1811 210.2602234 1655.0209960938
1812 210.2689972 1216.3487548828
1813 210.3398895 1171.6163330078
1814 210.5583954 1238.1317138672
1815 228.2128296 1120.3299560547
1816 239.1054230 40874.8710937500
1817 240.1087799 2788.6406250000
1818 248.4175720 1246.9415283203
1819 271.3923340 1150.9805908203
1820 271.4973755 1445.4367675781
1821 293.0249023 2075.0915527344
1822 297.9692993 1476.3782958984
1823 298.1530151 1337.8190917969
1824 328.3716736 1178.9890136719
1825 328.7253723 1277.5673828125
1826 340.0169678 1260.8970947266
1827 363.8579102 1260.7370605469
1828 364.1827393 2031.9018554688
1829 376.2785645 1228.6896972656
1830 391.1124268 1303.4212646484
1831 405.4008179 1170.3481445313
1832 405.5680847 1630.4129638672
1833 405.9599915 1253.3488769531
1834 448.1434326 3232.5102539063
1835 463.2622681 1328.2597656250
1836 499.0979614 2607.5756835938
1837 513.2933960 1534.1363525391
1838 513.6792603 1451.3939208984
1839 530.1152954 14419.2578125000
1840 531.1226196 8686.1162109375
1841 532.1255493 2493.8847656250
1842 580.9445801 1369.6676025391
1843 580.9851685 1681.3571777344
1844 844.4353027 1522.4200439453
1845 901.3555298 1408.4298095703
1846 1339.0708008 1493.5346679688
1847 1417.4113770 1552.6291503906
1848 1931.3745117 3417.0063476563
1849 END IONS
1850 BEGIN IONS
1851 TITLE=controllerType=0 controllerNumber=1 scan=76 [PRECURSOR=controllerType=0 controllerNumber=1 scan=67]
1852 SCANS=76
1853 RTINSECONDS=91.020447359
1854 PEPMASS=661.706604003906
1855 CHARGE=2+
1856 120.5388031 1099.4787597656
1857 120.5423584 730.9346923828
1858 120.5528336 979.8590698242
1859 120.5557938 971.4393920898
1860 120.5592728 1383.9023437500
1861 120.5803223 1197.8348388672
1862 120.5858994 1548.2172851563
1863 120.5970154 1725.5205078125
1864 120.6003494 2036.3015136719
1865 120.6042023 1564.1754150391
1866 120.6171951 1819.6441650391
1867 120.6207962 1240.0300292969
1868 120.6324921 1681.5664062500
1869 120.6355591 1050.9122314453
1870 120.6405945 987.2875366211
1871 120.6493454 900.9453735352
1872 120.6539841 988.9915771484
1873 120.6624069 1380.7539062500
1874 120.6813278 915.9213867188
1875 120.6928253 1146.3594970703
1876 120.7006454 946.7826538086
1877 120.7144394 918.9341430664
1878 120.7198029 949.1113281250
1879 120.7392960 813.7598876953
1880 124.0229263 903.4970092773
1881 128.1388855 1259.8634033203
1882 128.2067261 1267.3752441406
1883 128.2102203 1045.6370849609
1884 128.2141113 1126.2767333984
1885 128.2177124 1077.9958496094
1886 128.2339325 1347.0529785156
1887 128.2514648 1038.9228515625
1888 128.2557068 1554.1223144531
1889 128.2595520 868.9998779297
1890 128.2703247 927.8055419922
1891 128.2742615 1435.6303710938
1892 128.2781982 926.0547485352
1893 128.2873993 1127.1363525391
1894 128.2908478 1437.7247314453
1895 128.2944031 1017.5130615234
1896 128.3190613 1126.8613281250
1897 128.3438416 1051.1370849609
1898 128.3605042 1198.9711914063
1899 128.3810272 1269.8869628906
1900 128.4077759 725.6823120117
1901 128.4148712 1040.5948486328
1902 131.1175537 2079.5847167969
1903 135.3743744 895.9426269531
1904 136.5925293 1129.1280517578
1905 136.6099548 1215.3001708984
1906 136.6134796 1127.6495361328
1907 136.6216125 1502.3963623047
1908 136.6533051 1127.8961181641
1909 136.6577606 836.0213623047
1910 136.6630096 1210.6910400391
1911 136.7023010 1321.4423828125
1912 136.7060089 1203.3364257813
1913 136.7226257 1398.9011230469
1914 136.7280731 871.6346435547
1915 136.7895050 1454.4645996094
1916 136.7973328 1032.7340087891
1917 136.8261108 1242.5808105469
1918 136.8825684 1093.6176757813
1919 136.9309998 969.8727416992
1920 138.6925049 914.2977905273
1921 145.8707886 1502.0330810547
1922 145.9147644 1722.2979736328
1923 145.9260712 1481.0917968750
1924 145.9303436 1461.9908447266
1925 145.9431763 1563.8631591797
1926 145.9687805 1152.5834960938
1927 145.9731293 1896.7081298828
1928 145.9797211 1316.6154785156
1929 145.9912262 1739.7644042969
1930 145.9969940 1181.7299804688
1931 146.0291901 1604.7586669922
1932 146.0534973 1384.0407714844
1933 146.0986938 1403.5135498047
1934 156.1021118 1263.0422363281
1935 156.1121216 1223.5816650391
1936 156.1347351 1482.8022460938
1937 156.1424561 1374.3018798828
1938 156.1509399 2363.5830078125
1939 156.1679230 1249.3060302734
1940 156.1819763 1804.7050781250
1941 156.2155457 2157.6838378906
1942 156.2822723 1398.2631835938
1943 156.3039093 1427.1853027344
1944 157.1331787 4640.3139648438
1945 167.3574371 1383.6051025391
1946 167.5225677 1286.8886718750
1947 167.5380096 1397.7315673828
1948 167.6484222 1087.4929199219
1949 167.8551331 996.7030029297
1950 170.0010529 1146.7097167969
1951 173.4564362 27186.9609375000
1952 173.4614868 1549.7414550781
1953 180.0534668 1197.9807128906
1954 180.1397247 1537.6641845703
1955 180.2037964 1070.3206787109
1956 180.2122955 1274.0753173828
1957 180.2193909 1466.2861328125
1958 180.2451782 1384.0306396484
1959 180.3302612 1191.1413574219
1960 180.8418732 1161.5640869141
1961 192.6770630 1075.5693359375
1962 194.1061707 1290.8610839844
1963 194.2006683 1172.2648925781
1964 194.2624054 1561.5126953125
1965 194.2978058 1308.1292724609
1966 194.3184814 1203.6945800781
1967 194.3513641 1311.3935546875
1968 194.3969116 1112.7136230469
1969 201.1241455 1088.3551025391
1970 207.9540558 1078.5053710938
1971 210.1203613 1558.2561035156
1972 210.1685028 1434.7696533203
1973 212.9350739 1219.7011718750
1974 228.0902710 1832.3466796875
1975 228.0987244 1940.4489746094
1976 229.1191406 1212.3461914063
1977 239.1054230 91474.6093750000
1978 240.1088104 6310.1186523438
1979 248.1988220 1584.8852539063
1980 248.5218964 1397.7899169922
1981 262.0062561 1644.7548828125
1982 271.3298645 1442.5505371094
1983 271.4519043 1655.2628173828
1984 292.0167847 3894.7302246094
1985 293.0245056 11269.8994140625
1986 297.8770447 1374.4324951172
1987 297.9089355 1801.3100585938
1988 298.1878967 1296.3546142578
1989 310.0271912 5552.4321289063
1990 324.5861816 1198.7569580078
1991 328.2674255 1355.9589843750
1992 328.3954468 1569.8088378906
1993 328.4116516 1242.9268798828
1994 335.9382935 1347.4588623047
1995 343.8914490 1267.4459228516
1996 363.7261353 1284.9663085938
1997 363.9142761 1449.7966308594
1998 405.2579956 1326.4920654297
1999 405.6114502 1367.6573486328
2000 421.7485657 1396.5560302734
2001 423.2825317 1263.0190429688
2002 448.1428528 8589.1191406250
2003 454.5633240 1246.7122802734
2004 482.0928650 1770.9578857422
2005 499.0963440 3036.0388183594
2006 500.1025696 5168.1953125000
2007 513.0659790 1424.7454833984
2008 530.1152954 15089.7587890625
2009 531.1219482 17135.6328125000
2010 532.1263428 2726.7231445313
2011 545.4106445 1360.1905517578
2012 796.1890869 1559.2153320313
2013 913.4843750 2072.2609863281
2014 989.1122437 1820.7312011719
2015 1312.8728027 1416.5003662109
2016 1328.0372314 1388.4748535156
2017 END IONS
2018 BEGIN IONS
2019 TITLE=controllerType=0 controllerNumber=1 scan=77 [PRECURSOR=controllerType=0 controllerNumber=1 scan=67]
2020 SCANS=77
2021 RTINSECONDS=91.140322848
2022 PEPMASS=1088.44177246094
2023 CHARGE=2+
2024 120.4650879 1120.9877929688
2025 120.4959335 1158.5582275391
2026 120.5087585 977.7853393555
2027 120.5903397 1344.0400390625
2028 120.5934143 936.5338134766
2029 120.5980453 1065.9746093750
2030 120.6013641 1529.4052734375
2031 120.6133118 1637.9287109375
2032 120.6165009 1463.9217529297
2033 120.6243439 1258.2720947266
2034 120.6331635 1156.1188964844
2035 120.6501923 1024.6163330078
2036 120.6545639 1505.7916259766
2037 120.6586685 2077.7536621094
2038 120.6622314 1089.0815429688
2039 120.7172852 947.0454711914
2040 120.7629013 945.3623046875
2041 120.7683411 1111.2342529297
2042 120.8004684 770.4730224609
2043 120.8063507 1350.4349365234
2044 120.8518066 756.0695800781
2045 125.2723083 1051.2780761719
2046 127.3523102 948.7135009766
2047 128.1233826 926.9107666016
2048 128.1378632 1163.9064941406
2049 128.2447357 1356.5485839844
2050 128.2736664 1302.8178710938
2051 128.2771454 923.0811157227
2052 128.2916718 1546.3062744141
2053 128.3106079 1468.8745117188
2054 128.3156281 1664.8123779297
2055 128.3800049 882.6070556641
2056 128.3841248 1238.3454589844
2057 128.4334869 909.6708984375
2058 128.4709473 910.9404907227
2059 129.4043121 1104.1090087891
2060 136.5414124 988.0831909180
2061 136.5569916 1145.3994140625
2062 136.5987701 1034.8552246094
2063 136.6553955 1983.0045166016
2064 136.6836090 1612.1052246094
2065 136.6935272 878.3704833984
2066 136.7031860 891.6482543945
2067 136.7239685 1378.8642578125
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2134 BEGIN IONS
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2464 BEGIN IONS
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4617 END IONS
4618 BEGIN IONS
4619 TITLE=controllerType=0 controllerNumber=1 scan=98 [PRECURSOR=controllerType=0 controllerNumber=1 scan=88]
4620 SCANS=98
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4757 331.9772644 1634.6203613281
4758 363.5056458 1446.3931884766
4759 405.6954956 1272.3583984375
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4769 1313.6719971 1614.7835693359
4770 1503.8273926 1462.9067382813
4771 1577.8967285 1487.9519042969
4772 END IONS