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Iuliia Nikolskaia commited on
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  1. lcms/sirius/canopus_formula_summary.tsv +3 -0
  2. lcms/sirius/canopus_structure_summary.tsv +0 -0
  3. lcms/sirius/denovo_structure_identifications.tsv +1 -0
  4. lcms/sirius/formula_identifications.tsv +0 -0
  5. lcms/sirius/spectral_matches.tsv +1 -0
  6. lcms/sirius/structure_identifications.tsv +0 -0
lcms/sirius/canopus_formula_summary.tsv ADDED
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+ version https://git-lfs.github.com/spec/v1
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+ oid sha256:be4e93ccd7b07774f5b4693e1c3c3ecafae866c063cc7b2bf09f65ac3348eda8
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+ size 10659448
lcms/sirius/canopus_structure_summary.tsv ADDED
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lcms/sirius/denovo_structure_identifications.tsv ADDED
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+ structurePerIdRank formulaRank CSI:FingerIDScore ModelScore ZodiacScore SiriusScoreNormalized SiriusScore molecularFormula adduct precursorFormula InChIkey2D InChI name smiles ionMass retentionTimeInSeconds retentionTimeInMinutes formulaId alignedFeatureId mappingFeatureId overallFeatureQuality
lcms/sirius/formula_identifications.tsv ADDED
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lcms/sirius/spectral_matches.tsv ADDED
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+ spectralMatchRank spectrumType analogHit querySpectrumIndex querySpectrumScanNumber querySpectrumMsLevel querySpectrumCE similarity sharedPeaks referenceMsLevel referenceCE referenceAdduct referencePrecursorMz referenceInstrument referenceSmiles referenceSplash referenceName referenceLinks InChIkey2D ionMass retentionTimeInSeconds retentionTimeInMinutes alignedFeatureId providedFeatureId overallFeatureQuality
lcms/sirius/structure_identifications.tsv ADDED
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