Mercurial > repos > tomnl > assess_purity_msms
view test-data/file02.msp @ 27:81c4fdfbcb5a draft
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
author | tomnl |
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date | Tue, 17 Jul 2018 12:18:03 -0400 |
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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