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annotate test-data/winter_pos.msp @ 0:938c818cf097 draft default tip

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"planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit 6bc059c100f1f968d99c1d5ad5e7259e83d386b6"
author tomnl
date Fri, 04 Oct 2019 07:16:18 -0400
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Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
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0
938c818cf097 "planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit 6bc059c100f1f968d99c1d5ad5e7259e83d386b6"
tomnl
parents:
diff changeset
1 NAME: pos_27_winter_Marpol_27_2.E.3_01_17272:1
938c818cf097 "planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit 6bc059c100f1f968d99c1d5ad5e7259e83d386b6"
tomnl
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diff changeset
2 AlignmentID: 1
938c818cf097 "planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit 6bc059c100f1f968d99c1d5ad5e7259e83d386b6"
tomnl
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diff changeset
3 RETENTIONTIME: 720.852
938c818cf097 "planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit 6bc059c100f1f968d99c1d5ad5e7259e83d386b6"
tomnl
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diff changeset
4 PRECURSORMZ: 149.13513692
938c818cf097 "planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit 6bc059c100f1f968d99c1d5ad5e7259e83d386b6"
tomnl
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5 METABOLITENAME: Unknown
938c818cf097 "planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit 6bc059c100f1f968d99c1d5ad5e7259e83d386b6"
tomnl
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6 ADDUCTIONNAME: [M+H]+
938c818cf097 "planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit 6bc059c100f1f968d99c1d5ad5e7259e83d386b6"
tomnl
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diff changeset
7 NumPeaks: 3
938c818cf097 "planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit 6bc059c100f1f968d99c1d5ad5e7259e83d386b6"
tomnl
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diff changeset
8 121.099329887276 182
938c818cf097 "planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit 6bc059c100f1f968d99c1d5ad5e7259e83d386b6"
tomnl
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diff changeset
9 149.133267159026 510
938c818cf097 "planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit 6bc059c100f1f968d99c1d5ad5e7259e83d386b6"
tomnl
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diff changeset
10 150.14016979533 114
938c818cf097 "planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit 6bc059c100f1f968d99c1d5ad5e7259e83d386b6"
tomnl
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11
938c818cf097 "planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit 6bc059c100f1f968d99c1d5ad5e7259e83d386b6"
tomnl
parents:
diff changeset
12 NAME: pos_27_winter_Marpol_27_2.E.3_01_17272:2
938c818cf097 "planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit 6bc059c100f1f968d99c1d5ad5e7259e83d386b6"
tomnl
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diff changeset
13 AlignmentID: 2
938c818cf097 "planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit 6bc059c100f1f968d99c1d5ad5e7259e83d386b6"
tomnl
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14 RETENTIONTIME: 650.574
938c818cf097 "planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit 6bc059c100f1f968d99c1d5ad5e7259e83d386b6"
tomnl
parents:
diff changeset
15 PRECURSORMZ: 151.11569214
938c818cf097 "planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit 6bc059c100f1f968d99c1d5ad5e7259e83d386b6"
tomnl
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diff changeset
16 METABOLITENAME: Unknown
938c818cf097 "planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit 6bc059c100f1f968d99c1d5ad5e7259e83d386b6"
tomnl
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diff changeset
17 ADDUCTIONNAME: [M+H]+
938c818cf097 "planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit 6bc059c100f1f968d99c1d5ad5e7259e83d386b6"
tomnl
parents:
diff changeset
18 NumPeaks: 3
938c818cf097 "planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit 6bc059c100f1f968d99c1d5ad5e7259e83d386b6"
tomnl
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diff changeset
19 136.090178471023 168
938c818cf097 "planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit 6bc059c100f1f968d99c1d5ad5e7259e83d386b6"
tomnl
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20 151.110697295085 1052
938c818cf097 "planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit 6bc059c100f1f968d99c1d5ad5e7259e83d386b6"
tomnl
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21 152.117423567352 136
938c818cf097 "planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit 6bc059c100f1f968d99c1d5ad5e7259e83d386b6"
tomnl
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22
938c818cf097 "planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit 6bc059c100f1f968d99c1d5ad5e7259e83d386b6"
tomnl
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23 NAME: pos_27_winter_Marpol_27_2.E.3_01_17272:3
938c818cf097 "planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit 6bc059c100f1f968d99c1d5ad5e7259e83d386b6"
tomnl
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24 AlignmentID: 3
938c818cf097 "planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit 6bc059c100f1f968d99c1d5ad5e7259e83d386b6"
tomnl
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25 RETENTIONTIME: 42.174
938c818cf097 "planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit 6bc059c100f1f968d99c1d5ad5e7259e83d386b6"
tomnl
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26 PRECURSORMZ: 166.09213257
938c818cf097 "planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit 6bc059c100f1f968d99c1d5ad5e7259e83d386b6"
tomnl
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27 METABOLITENAME: Unknown
938c818cf097 "planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit 6bc059c100f1f968d99c1d5ad5e7259e83d386b6"
tomnl
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diff changeset
28 ADDUCTIONNAME: [M+H]+
938c818cf097 "planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit 6bc059c100f1f968d99c1d5ad5e7259e83d386b6"
tomnl
parents:
diff changeset
29 NumPeaks: 5
938c818cf097 "planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit 6bc059c100f1f968d99c1d5ad5e7259e83d386b6"
tomnl
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diff changeset
30 121.067062911877 262
938c818cf097 "planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit 6bc059c100f1f968d99c1d5ad5e7259e83d386b6"
tomnl
parents:
diff changeset
31 131.049505932606 146
938c818cf097 "planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit 6bc059c100f1f968d99c1d5ad5e7259e83d386b6"
tomnl
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diff changeset
32 137.060202192821 531
938c818cf097 "planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit 6bc059c100f1f968d99c1d5ad5e7259e83d386b6"
tomnl
parents:
diff changeset
33 149.059561491169 254
938c818cf097 "planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit 6bc059c100f1f968d99c1d5ad5e7259e83d386b6"
tomnl
parents:
diff changeset
34 166.08537028381 545