Mercurial > repos > computational-metabolomics > sirius_csifingerid
annotate test-data/historic_input.msp @ 5:57c4e7421085 draft
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 99b92ad520378cfaceb98cb0c9956825033cf334"
| author | computational-metabolomics |
|---|---|
| date | Fri, 04 Feb 2022 10:15:28 +0000 |
| parents | 9e6bf7278257 |
| children |
| rev | line source |
|---|---|
|
0
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
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1 NAME: 1 |
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9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
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2 PRECURSORMZ: 70.0658950805664 |
|
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
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3 Comment: |
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9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
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4 Num Peaks: 8 |
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9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
5 50.4781379699707 3487.4296875 |
|
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
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6 51.0193099975586 3390.96948242188 |
|
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
7 53.0031509399414 10011.958984375 |
|
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
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8 53.5898513793945 4252.7880859375 |
|
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
9 54.3787727355957 3541.5107421875 |
|
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
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10 69.0455169677734 9650.0107421875 |
|
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
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11 70.0660934448242 37168.609375 |
|
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
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12 82.9910659790039 4077.36694335938 |
|
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
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13 |
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9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
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14 NAME: 2 |
|
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
15 PRECURSORMZ: 72.0815277099609 |
|
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
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16 Comment: |
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9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
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17 Num Peaks: 6 |
|
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
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18 51.773567199707 818.313903808594 |
|
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
19 54.0346794128418 1247.91137695312 |
|
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
20 54.6847991943359 967.616882324219 |
|
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
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21 56.050350189209 1780.01037597656 |
|
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
22 58.4994125366211 975.196228027344 |
|
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
23 72.0814056396484 1660.50390625 |
|
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
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24 |
|
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
25 NAME: 5 |
|
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
26 PRECURSORMZ: 76.0400390625 |
|
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
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27 Comment: |
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9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
28 Num Peaks: 4 |
|
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
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29 53.2376174926758 3224.35571289062 |
|
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
30 60.3291244506836 3193.19482421875 |
|
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
31 73.7529830932617 3305.61401367188 |
|
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
32 82.5309600830078 2965.41772460938 |
|
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
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changeset
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33 |
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9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
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34 NAME: 9 |
|
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
35 PRECURSORMZ: 79.0218811035156 |
|
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
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36 Comment: |
|
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
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37 Num Peaks: 5 |
|
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
38 59.1125831604004 67799.1953125 |
|
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
39 59.9673652648926 345613.1875 |
|
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
40 62.9906845092773 117693.296875 |
|
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
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41 63.9986686706543 1585970.25 |
|
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
42 80.5974655151367 66719.4609375 |
|
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
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43 |
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9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
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44 NAME: 11 |
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9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
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45 PRECURSORMZ: 79.9903564453125 |
|
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
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46 Comment: |
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9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
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47 Num Peaks: 3 |
|
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
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48 51.6917915344238 584.212829589844 |
|
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
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49 53.0398750305176 649.807922363281 |
|
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
50 97.3154754638672 596.341003417969 |
|
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
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51 |
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9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
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52 NAME: 19 |
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9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
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53 PRECURSORMZ: 86.0606536865234 |
|
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
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54 Comment: |
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9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
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55 Num Peaks: 5 |
|
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
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56 53.0031509399414 29580.330078125 |
|
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
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57 55.3490409851074 4989.64990234375 |
|
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
58 61.990592956543 4089.9619140625 |
|
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
59 63.2290992736816 4168.97412109375 |
|
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
60 67.6647109985352 5392.48779296875 |
|
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
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61 |