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Workflow MOLECULAR-LIBRARYSEARCH-GC (version release_23)
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Usermabel_gonzalez (mabel.c.gonzalez@uniandes.edu.co), Uniandes
Title
Library Search/Networking of MSHub Deconvolution Silverstoneia GC_Metadata_CarbonMarkers_NoFilters_MinPeak3
Re-Analyze Task Outputs Import to Re-analyze Task Data
Date Created 2020-06-18 23:35:05.0
Execution Time 3 hours 17 minutes 44 seconds
Progress
Deconvolved EI Spectra MGF File
726b3f77a7f34f4199313a27a5d24347/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-BORISOV-COMPILATION/GC-BORISOV-COMPILATION.mgf
CCMS_SpectralLibraries/GNPS_GC_Libraries/GC-HMDB/GC-HMDB.mgf
staticlibs/AROMA-UNIV-CORSICA-GC/AROMA-UNIV-CORSICA-GC.mgf
staticlibs/NIST_EI_14/NIST_GC_EI_MAX_LIBRARY.mgf
staticlibs/WILEY_EI_11/w11main1_library.mgf
staticlibs/WILEY_EI_11/w11re_library.mgf
staticlibs/WILEY_EI_11/w11del_library.mgf
staticlibs/WILEY_EI_11/w11main2_library.mgf
Feature Quantification Table
726b3f77a7f34f4199313a27a5d24347/quantification_output/quantification.csv
Sample Metadata Table
mabel_gonzalez/VOC/Metadata/Metadata_Silverstoneia.txt
Input Carbon Marker File (Optional)
mabel_gonzalez/VOC/Metadata/CarbonMarkers_Silverstoneia.csv
MSHub Balance Score
726b3f77a7f34f4199313a27a5d24347/preprocessing_scratch/data_integrals.csv