Mercurial > repos > tomnl > create_sqlite_db
diff test-data/input.msp @ 5:9ab472c5714c draft
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
author | tomnl |
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date | Mon, 23 Apr 2018 06:10:07 -0400 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/input.msp Mon Apr 23 06:10:07 2018 -0400 @@ -0,0 +1,124 @@ +NAME: 1-1-1483 +PRECURSORMZ: 70.0658950805664 +Comment: +Num Peaks: 8 +50.4781379699707 3487.4296875 +51.0193099975586 3390.96948242188 +53.0031509399414 10011.958984375 +53.5898513793945 4252.7880859375 +54.3787727355957 3541.5107421875 +69.0455169677734 9650.0107421875 +70.0660934448242 37168.609375 +82.9910659790039 4077.36694335938 + +NAME: 2-1-1823 +PRECURSORMZ: 72.0815277099609 +Comment: +Num Peaks: 6 +51.773567199707 818.313903808594 +54.0346794128418 1247.91137695312 +54.6847991943359 967.616882324219 +56.050350189209 1780.01037597656 +58.4994125366211 975.196228027344 +72.0814056396484 1660.50390625 + +NAME: 2-1-1857 +PRECURSORMZ: 72.08154296875 +Comment: +Num Peaks: 4 +56.0504341125488 1838.78173828125 +59.9103507995605 701.556762695312 +63.7723731994629 650.224975585938 +72.0814590454102 760.228637695312 + +NAME: 5-1-1606 +PRECURSORMZ: 76.0400390625 +Comment: +Num Peaks: 4 +53.2376174926758 3224.35571289062 +60.3291244506836 3193.19482421875 +73.7529830932617 3305.61401367188 +82.5309600830078 2965.41772460938 + +NAME: 9-1-177 +PRECURSORMZ: 79.0218658447266 +Comment: +Num Peaks: 7 +53.6282501220703 15316.7431640625 +59.967342376709 251727.734375 +61.0115814208984 80113.8046875 +62.9908714294434 93065.1015625 +63.9986305236816 950876.9375 +79.0219345092773 33032.984375 +95.4936447143555 13826.033203125 + +NAME: 9-1-184 +PRECURSORMZ: 79.0218811035156 +Comment: +Num Peaks: 5 +59.1125831604004 67799.1953125 +59.9673652648926 345613.1875 +62.9906845092773 117693.296875 +63.9986686706543 1585970.25 +80.5974655151367 66719.4609375 + +NAME: 9-1-212 +PRECURSORMZ: 79.0218887329102 +Comment: +Num Peaks: 12 +53.1700401306152 2441.47143554688 +55.1893730163574 2006.07958984375 +58.9013671875 2539.39086914062 +59.9673500061035 13423.1376953125 +61.0115776062012 4831.0986328125 +62.9908828735352 3668.52905273438 +63.9986190795898 54386.6640625 +73.8388671875 2330.30126953125 +78.5768051147461 2563.25 +79.0221328735352 2581.44604492188 +96.8009872436523 2530.70141601562 +99.6652908325195 2961.3095703125 + +NAME: 11-1-1284 +PRECURSORMZ: 79.9903564453125 +Comment: +Num Peaks: 3 +51.6917915344238 584.212829589844 +53.0398750305176 649.807922363281 +97.3154754638672 596.341003417969 + +NAME: 19-1-1497 +PRECURSORMZ: 86.060661315918 +Comment: +Num Peaks: 4 +53.0031318664551 9658.7939453125 +53.1939277648926 1998.81518554688 +80.3447494506836 2044.23645019531 +101.307479858398 2181.85522460938 + +NAME: 19-1-1498 +PRECURSORMZ: 86.0606307983398 +Comment: +Num Peaks: 11 +52.6782836914062 1061.12646484375 +53.0032196044922 15176.8583984375 +53.1121788024902 1193.6044921875 +53.9984169006348 2790.28930664062 +54.0287094116211 999.250427246094 +56.7024726867676 1171.42797851562 +69.0346069335938 1878.03894042969 +72.9083633422852 1256.455078125 +74.0740356445312 1324.07055664062 +80.5324630737305 1329.61022949219 +91.0167770385742 1362.0029296875 + +NAME: 19-1-1500 +PRECURSORMZ: 86.0606536865234 +Comment: +Num Peaks: 5 +53.0031509399414 29580.330078125 +55.3490409851074 4989.64990234375 +61.990592956543 4089.9619140625 +63.2290992736816 4168.97412109375 +67.6647109985352 5392.48779296875 +