Mercurial > repos > recetox > qcxms_getres
view test-data/output.msp @ 2:53dce0e49af7 draft
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/qcxms commit 68505a19637f8374cc5bde7e6b9370647a064ca9
author | recetox |
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date | Thu, 25 Jul 2024 14:27:08 +0000 |
parents | ef51824f6d04 |
children |
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NAME: Lindane Num Peaks: 49 95.953354 29.195388847147174971 96.956708 0.668804095247536257 96.959630 0.006270038392945652 97.950404 18.872816291174281389 97.960062 0.002090012797648551 98.953758 0.408597509163542982 98.956680 0.006270038392945652 99.947454 3.027383551460257394 99.957112 0.001045006398824275 100.950808 0.060610371892150218 100.953730 0.001045006398824275 112.007977 100.000000000000000000 113.011331 6.469344248109893947 113.014253 0.062015503068284489 114.005027 31.968992563911168503 114.014685 0.191684279973595856 114.017607 0.002818886409876120 115.008381 2.170542578675819456 115.011303 0.016913318459256720 116.011735 0.056377728197522396 116.014657 0.002818886409876120 117.015089 0.002818886409876120 121.969004 48.616737474503565863 122.972358 2.314913873279450307 122.975280 0.028382084687048212 123.966054 31.214972837163390551 123.975712 0.030155965625322630 123.978634 0.003547760585881026 124.969408 1.333958011267293520 124.972330 0.010643281757643079 125.963104 4.931387222118633673 125.972762 0.017738802929405131 126.966458 0.184483555628484647 126.969380 0.005321640878821540 127.969812 0.001773880292940513 147.984654 75.667375851606607284 148.988008 4.978153862789445938 148.990930 0.042283303452986920 149.981704 48.524317372305198148 149.991362 0.157857662942868432 149.994284 0.002818886691764789 150.985058 3.038759966527995626 150.987980 0.036645528018447289 151.978754 7.912614881227955976 151.988412 0.087385490521223547 151.991334 0.005637773383529577 152.982108 0.467935188781944900 152.985030 0.002818886691764789 153.985462 0.019732207867858554