Mercurial > repos > tomnl > msp_split
diff test-data/input.msp @ 5:f2683ec717fe draft default tip
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a164f06c09dc1614c2909c247ebf390aab433527-dirty
| author | tomnl |
|---|---|
| date | Wed, 18 Sep 2019 05:46:09 -0400 |
| parents | 769ec2496d14 |
| children |
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--- a/test-data/input.msp Wed Jul 18 06:04:14 2018 -0400 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,124 +0,0 @@ -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 -
