Mercurial > repos > recetox > matchms_formatter

annotate test-data/add_key/out_matchms_add_key.msp @ 27:402620029a7a draft

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit c626c8db7ba4dd30f85f7086e16e1e2413e36bd8
author recetox
date Mon, 22 Apr 2024 08:40:39 +0000
parents 34439ffa6a60
children
Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
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34439ffa6a60 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit da193865f41a3a840ecc4ba0afab1d358554998a
recetox
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diff changeset
1 NAME: C001
34439ffa6a60 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit da193865f41a3a840ecc4ba0afab1d358554998a
recetox
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2 IONMODE: Negative
34439ffa6a60 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit da193865f41a3a840ecc4ba0afab1d358554998a
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3 RETENTIONTIME: 38.74
34439ffa6a60 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit da193865f41a3a840ecc4ba0afab1d358554998a
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4 RETENTIONINDEX: -1
34439ffa6a60 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit da193865f41a3a840ecc4ba0afab1d358554998a
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5 SPECTRUMTYPE: Centroid
34439ffa6a60 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit da193865f41a3a840ecc4ba0afab1d358554998a
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6 TOOL_USED: matchms
34439ffa6a60 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit da193865f41a3a840ecc4ba0afab1d358554998a
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recetox
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recetox
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recetox
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111 RETENTIONTIME: 483.67
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recetox
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112 SPECTRUMTYPE: Centroid
34439ffa6a60 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit da193865f41a3a840ecc4ba0afab1d358554998a
recetox
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recetox
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recetox
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recetox
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recetox
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parents:
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141
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recetox
parents:
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recetox
parents:
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143 IONMODE: Negative
34439ffa6a60 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit da193865f41a3a840ecc4ba0afab1d358554998a
recetox
parents:
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144 RETENTIONTIME: 473.48
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recetox
parents:
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145 SPECTRUMTYPE: Centroid
34439ffa6a60 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit da193865f41a3a840ecc4ba0afab1d358554998a
recetox
parents:
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146 TOOL_USED: matchms
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recetox
parents:
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147 NUM PEAKS: 24
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recetox
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149 170.2437 1237313.0
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152 482.3247 145772322.0
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172
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recetox
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recetox
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175 RETENTIONTIME: 41.72
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recetox
parents:
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176 SPECTRUMTYPE: Centroid
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recetox
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recetox
parents:
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recetox
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recetox
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recetox
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recetox
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183 359.0443 48435582.0
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recetox
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recetox
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recetox
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recetox
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recetox
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diff changeset
188 396.9999 10317665.0
34439ffa6a60 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit da193865f41a3a840ecc4ba0afab1d358554998a
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189 417.0027 13822994.0
34439ffa6a60 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit da193865f41a3a840ecc4ba0afab1d358554998a
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190 418.9966 4386311.0
34439ffa6a60 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit da193865f41a3a840ecc4ba0afab1d358554998a
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191 432.9764 9779399.0
34439ffa6a60 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit da193865f41a3a840ecc4ba0afab1d358554998a
recetox
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192 438.9851 11307111.0
34439ffa6a60 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit da193865f41a3a840ecc4ba0afab1d358554998a
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193 440.9796 3364168.0
34439ffa6a60 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit da193865f41a3a840ecc4ba0afab1d358554998a
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194 454.9592 9820452.0
34439ffa6a60 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit da193865f41a3a840ecc4ba0afab1d358554998a
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195 456.9603 3774845.0
34439ffa6a60 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit da193865f41a3a840ecc4ba0afab1d358554998a
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196 470.9263 3632486.0
34439ffa6a60 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit da193865f41a3a840ecc4ba0afab1d358554998a
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197 512.8989 4072570.0
34439ffa6a60 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit da193865f41a3a840ecc4ba0afab1d358554998a
recetox
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198 572.871 3485486.0
34439ffa6a60 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit da193865f41a3a840ecc4ba0afab1d358554998a
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