Mercurial > repos > recetox > matchms_split
diff test-data/similarity/spec2vec/inp_filtered_spectra.msp @ 4:0cf68b536cd1 draft
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
author | recetox |
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date | Tue, 27 Jun 2023 14:25:30 +0000 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/similarity/spec2vec/inp_filtered_spectra.msp Tue Jun 27 14:25:30 2023 +0000 @@ -0,0 +1,1008 @@ +IONMODE: negative +SPECTRUMTYPE: Centroid +COMPOUND_NAME: C019 +RETENTION_TIME: 688.11 +RETENTION_INDEX: 4135.446429 +CHARGE: -1 +NUM PEAKS: 21 +164.985419247789 0.2949419846671587 +179.033979756352 0.1975962017168221 +194.04893073403 0.1080780080055076 +248.988380501455 0.4192550107623055 +251.037178293 0.1975188727945594 +283.099929585291 0.24858700581303622 +313.053040045895 0.15255184988804857 +329.031653006854 0.12152318335456756 +341.157248840923 0.33065016037294653 +385.022947628725 0.11792404215662944 +401.053681557414 0.5558197970588639 +403.051400482668 0.10684249115159443 +415.106669687654 1.0 +416.107049345269 0.3343846089983622 +417.104122333661 0.16072829222839785 +489.124198650628 0.7880577919119076 +535.10922525834 0.17951802003040962 +550.163296442538 0.22193082425956692 +551.161445828019 0.11285226875001307 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