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Workflow MOLECULAR-LIBRARYSEARCH-GC (version release_15)
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Useraaksenov (aaksenov@uconn.edu), UConn
Title
GNPS_GC_3D_skin_mapping_pilot_min_Library Search/Networking of 84d722e3ff414e6f8559a09436ad60dd MSHub Deconvolution
Re-Analyze Task Outputs Import to Re-analyze Task Data
Date Created 2019-11-04 14:13:26.0
Execution Time 20 minutes 29 seconds
Progress
Deconvolved EI Spectra MGF File
84d722e3ff414e6f8559a09436ad60dd/clustered_mgf/specs_ms.mgf
Spectral Library
staticlibs/NIST_EI_14/NIST_GC_EI_MAX_LIBRARY.mgf
Feature Quantification Table
84d722e3ff414e6f8559a09436ad60dd/quantification_output/quantification.csv
Sample Metadata Table
aaksenov/GC_data/Misc/metadata_3D_skin_pilot.txt
Input Carbon Marker File (Optional)
aaksenov/GC_data/Misc/GC_kovats_SKIN_corrected.csv
MSHub Balance Score
84d722e3ff414e6f8559a09436ad60dd/preprocessing_scratch/data_integrals.csv