Mercurial > repos > lecorguille > camera_annotate

annotate test-data/CASMI_extended_POS_rules.csv @ 22:01bbba6d57ff draft

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
"planemo upload commit e363c270e2f9d72cb0ede1a7f3bc61418b72c4c4"
author workflow4metabolomics
date Mon, 30 Mar 2020 09:27:57 -0400
parents 1c30ff90f3ae
children
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13
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1 "name","nmol","charge","massdiff","oidscore","quasi","ips"
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2 "[M+H]+",1,1,1.007276,1,1,1
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3 "[M+2H]2+",1,2,2.014552,2,0,1
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4 "[M+3H]3+",1,3,3.021828,3,0,1
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5 "[M+H+Na]2+",1,2,23.996494,4,0,0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6 "[M+H+K]2+",1,2,39.970434,6,0,0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7 "[M+Na]+",1,1,22.989218,7,1,1
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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8 "[M+2Na]2+",1,2,45.978436,8,0,0.75
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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9 "[M+K]+",1,1,38.963158,9,1,1
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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10 "[M+Na+K]2+",1,2,61.952376,10,0,0.75
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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11 "[M+2Na+K]3+",1,3,84.941594,11,0,0.75
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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12 "[M+2K]2+",1,2,77.926316,12,0,0.75
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13 "[M+Na+2K]3+",1,3,100.915534,13,0,0.75
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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14 "[M+2Na-H]+",1,1,44.97116,15,0,0.25
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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15 "[M+3Na-H]2+",1,2,67.960378,16,0,0.25
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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16 "[M+Na+K-H]+",1,1,60.9451,17,0,0.25
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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17 "[M+2Na+K-H]2+",1,2,83.934318,18,0,0.25
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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18 "[M+3Na+K-H]3+",1,3,106.923536,19,0,0.25
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19 "[M+Na+2K-H]2+",1,2,99.908258,20,0,0.25
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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20 "[M+2Na+2K-H]3+",1,3,122.897476,21,0,0.25
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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21 "[M+2K-H]+",1,1,76.91904,23,0,0.25
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22 "[M+3K-H]2+",1,2,115.882198,24,0,0.25
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23 "[M+Na+3K-H]3+",1,3,138.871416,25,0,0.25
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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24 "[2M+H]+",2,1,1.007276,1,0,0.5
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25 "[2M+2H]2+",2,2,2.014552,2,0,0.5
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26 "[2M+3H]3+",2,3,3.021828,3,0,0.5
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27 "[2M+H+Na]2+",2,2,23.996494,4,0,0.5
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28 "[2M+H+K]2+",2,2,39.970434,6,0,0.5
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29 "[2M+Na]+",2,1,22.989218,7,0,0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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30 "[2M+2Na]2+",2,2,45.978436,8,0,0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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31 "[2M+K]+",2,1,38.963158,9,0,0.5
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32 "[2M+Na+K]2+",2,2,61.952376,10,0,0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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33 "[2M+2Na+K]3+",2,3,84.941594,11,0,0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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34 "[2M+2K]2+",2,2,77.926316,12,0,0.5
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35 "[2M+Na+2K]3+",2,3,100.915534,13,0,0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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36 "[2M+2Na-H]+",2,1,44.97116,15,0,0.25
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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37 "[2M+3Na-H]2+",2,2,67.960378,16,0,0.25
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38 "[2M+Na+K-H]+",2,1,60.9451,17,0,0.25
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39 "[2M+2Na+K-H]2+",2,2,83.934318,18,0,0.25
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40 "[2M+3Na+K-H]3+",2,3,106.923536,19,0,0.25
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41 "[2M+Na+2K-H]2+",2,2,99.908258,20,0,0.25
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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42 "[2M+2Na+2K-H]3+",2,3,122.897476,21,0,0.25
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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43 "[2M+2K-H]+",2,1,76.91904,23,0,0.25
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44 "[2M+3K-H]2+",2,2,115.882198,24,0,0.25
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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45 "[2M+Na+3K-H]3+",2,3,138.871416,25,0,0.25
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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46 "[3M+H]+",3,1,1.007276,1,0,0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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47 "[3M+2H]2+",3,2,2.014552,2,0,0.5
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48 "[3M+3H]3+",3,3,3.021828,3,0,0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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49 "[3M+H+Na]2+",3,2,23.996494,4,0,0.5
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50 "[3M+H+K]2+",3,2,39.970434,6,0,0.5
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51 "[3M+Na]+",3,1,22.989218,7,0,0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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52 "[3M+2Na]2+",3,2,45.978436,8,0,0.5
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53 "[3M+K]+",3,1,38.963158,9,0,0.5
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55 "[3M+2Na+K]3+",3,3,84.941594,11,0,0.5
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56 "[3M+2K]2+",3,2,77.926316,12,0,0.5
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58 "[3M+2Na-H]+",3,1,44.97116,15,0,0.25
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61 "[3M+2Na+K-H]2+",3,2,83.934318,18,0,0.25
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62 "[3M+3Na+K-H]3+",3,3,106.923536,19,0,0.25
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63 "[3M+Na+2K-H]2+",3,2,99.908258,20,0,0.25
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64 "[3M+2Na+2K-H]3+",3,3,122.897476,21,0,0.25
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66 "[3M+3K-H]2+",3,2,115.882198,24,0,0.25
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90 "[M+3H-C3H2O3]3+",1,3,-82.978562,49,0,0.25
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285 "[M+3H-HI]3+",1,3,-124.890470035,244,0,0.25
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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286 "[M+H-H6O3]+",1,1,-53.0244181,248,0,0.25
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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287 "[M+2H-H6O3]2+",1,2,-52.0171421,249,0,0.25
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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288 "[M+3H-H6O3]3+",1,3,-51.0098661,250,0,0.25
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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289 "[M+H-H8O4]+",1,1,-71.0349828,251,0,0.25
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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290 "[M+2H-H8O4]2+",1,2,-70.0277068,252,0,0.25
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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291 "[M+3H-H8O4]3+",1,3,-69.0204308,253,0,0.25
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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292 "[M+H-H10O5]+",1,1,-89.0455475,254,0,0.25
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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293 "[M+2H-H10O5]2+",1,2,-88.0382715,255,0,0.25
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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294 "[M+3H-H10O5]3+",1,3,-87.0309955,256,0,0.25
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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295 "[M+H-H12O6]+",1,1,-107.0561122,257,0,0.25
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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296 "[M+2H-H12O6]2+",1,2,-106.0488362,258,0,0.25
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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297 "[M+3H-H12O6]3+",1,3,-105.0415602,259,0,0.25
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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298 "[M+H-H14O7]+",1,1,-125.0666769,260,0,0.25
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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299 "[M+2H-H14O7]2+",1,2,-124.0594009,261,0,0.25
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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300 "[M+3H-H14O7]3+",1,3,-123.0521249,262,0,0.25
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301 "[M+H-CH6O3]+",1,1,-65.0244181,266,0,0.25
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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302 "[M+2H-CH6O3]2+",1,2,-64.0171421,267,0,0.25
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303 "[M+3H-CH6O3]3+",1,3,-63.0098661,268,0,0.25
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304 "[M+H-CH4O2]+",1,1,-47.0138534,269,0,0.25
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305 "[M+2H-CH4O2]2+",1,2,-46.0065774,270,0,0.25
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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306 "[M+3H-CH4O2]3+",1,3,-44.9993014,271,0,0.25
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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307 "[M+H-NaOH]+",1,1,-38.985231365,272,0,0.25
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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308 "[M+2H-NaOH]2+",1,2,-37.977955365,273,0,0.25
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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309 "[M+3H-NaOH]3+",1,3,-36.970679365,274,0,0.25
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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310 "[M+H-KOH]+",1,1,-54.959171065,275,0,0.25
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311 "[M+2H-KOH]2+",1,2,-53.951895065,276,0,0.25
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312 "[M+3H-KOH]3+",1,3,-52.944619065,277,0,0.25