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Workflow MOLECULAR-LIBRARYSEARCH-GC (version gc_balance_score_refactor:release_15)
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Useraaksenov (aaksenov@uconn.edu), UConn
Title
GNPS_GC_Low res QqQ data_cheese data_SPME_Library Search_public_libs
Re-Analyze Task Outputs Import to Re-analyze Task Data
Date Created 2019-11-13 12:16:16.0
Execution Time 15 minutes 12 seconds
Progress
Deconvolved EI Spectra MGF File
c89e1a63e8844fc38da68c7d76e0ee94/clustered_mgf/specs_ms.mgf
Spectral Library
CCMS_SpectralLibraries/GNPS_GC_Libraries/GC-FIEHN/GC-FIEHN.mgf
CCMS_SpectralLibraries/GNPS_GC_Libraries/GC-MONA/GC-MONA.mgf
CCMS_SpectralLibraries/GNPS_GC_Libraries/GC-HMDB/GC-HMDB.mgf
Feature Quantification Table
c89e1a63e8844fc38da68c7d76e0ee94/quantification_output/quantification.csv
Sample Metadata Table
aaksenov/GC_data/GC data for GNPS testing/GNPS_Metadata_cheese_curated.txt
Input Carbon Marker File (Optional)
aaksenov/GC_data/Misc/Kovats_cheese_corrected.csv
MSHub Balance Score
c89e1a63e8844fc38da68c7d76e0ee94/preprocessing_scratch/data_integrals.csv