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Userbpbowen (bpbowen@lbl.gov), Berkeley Lab
Title
20220113_JGI-AK_DB-TM_506963_LemCreek_final_QE-HF_HILICZ_USHXG01602_negative
Re-Analyze Task Outputs Import to Re-analyze Task Data
Date Created 2022-01-26 18:28:54.0
Execution Time 4 hours 43 minutes
Progress
MS2 File MGF/MSP(Progenesis QI)/mzML(MzTab-M)
bpbowen/20220113_JGI-AK_DB-TM_506963_LemCreek_final_QE-HF_HILICZ_USHXG01602_negative/featurems2/20220113_JGI-AK_DB-TM_506963_LemCreek_final_QE-HF_HILICZ_USHXG01602_negative_MSMS.mgf
Feature Quantification Table
bpbowen/20220113_JGI-AK_DB-TM_506963_LemCreek_final_QE-HF_HILICZ_USHXG01602_negative/featurequantification/20220113_JGI-AK_DB-TM_506963_LemCreek_final_QE-HF_HILICZ_USHXG01602_negative_peak-area.csv
Original mzML Files
bpbowen/20220113_JGI-AK_DB-TM_506963_LemCreek_final_QE-HF_HILICZ_USHXG01602_negative/rawdata//20220113_JGI-AK_DB-TM_506963_LemCreek_final_QE-HF_HILICZ_USHXG01602_NEG_MSMS_64_ExCtrl-pellet-biofilm_4_Rg70to1050-CE205060--S1_Run127.mzML
bpbowen/20220113_JGI-AK_DB-TM_506963_LemCreek_final_QE-HF_HILICZ_USHXG01602_negative/rawdata//20220113_JGI-AK_DB-TM_506963_LemCreek_final_QE-HF_HILICZ_USHXG01602_NEG_MSMS_18_biofilm-super-1650_1_Rg70to1050-CE102040--S1_Run32.mzML
bpbowen/20220113_JGI-AK_DB-TM_506963_LemCreek_final_QE-HF_HILICZ_USHXG01602_negative/rawdata//20220113_JGI-AK_DB-TM_506963_LemCreek_final_QE-HF_HILICZ_USHXG01602_NEG_MSMS_19_biofilm-pellet-1650_2_Rg70to1050-CE102040--S1_Run53.mzML
bpbowen/20220113_JGI-AK_DB-TM_506963_LemCreek_final_QE-HF_HILICZ_USHXG01602_negative/rawdata//20220113_JGI-AK_DB-TM_506963_LemCreek_final_QE-HF_HILICZ_USHXG01602_NEG_MSMS_40_soil-super-1250_2_Rg70to1050-CE102040--S1_Run188.mzML
bpbowen/20220113_JGI-AK_DB-TM_506963_LemCreek_final_QE-HF_HILICZ_USHXG01602_negative/rawdata//20220113_JGI-AK_DB-TM_506963_LemCreek_final_QE-HF_HILICZ_USHXG01602_NEG_MSMS_8_biofilm-super-0730_4_Rg70to1050-CE205060--S1_Run130.mzML
bpbowen/20220113_JGI-AK_DB-TM_506963_LemCreek_final_QE-HF_HILICZ_USHXG01602_negative/rawdata//20220113_JGI-AK_DB-TM_506963_LemCreek_final_QE-HF_HILICZ_USHXG01602_NEG_MSMS_58_soil-super-1925_3_Rg70to1050-CE102040--S1_Run216.mzML
bpbowen/20220113_JGI-AK_DB-TM_506963_LemCreek_final_QE-HF_HILICZ_USHXG01602_negative/rawdata//20220113_JGI-AK_DB-TM_506963_LemCreek_final_QE-HF_HILICZ_USHXG01602_NEG_MSMS_15_biofilm-pellet-1250_4_Rg70to1050-CE205060--S1_Run136.mzML
bpbowen/20220113_JGI-AK_DB-TM_506963_LemCreek_final_QE-HF_HILICZ_USHXG01602_negative/rawdata//20220113_JGI-AK_DB-TM_506963_LemCreek_final_QE-HF_HILICZ_USHXG01602_NEG_MSMS_57_soil-pellet-1925_3_Rg70to1050-CE102040--S1_Run201.mzML
bpbowen/20220113_JGI-AK_DB-TM_506963_LemCreek_final_QE-HF_HILICZ_USHXG01602_negative/rawdata//20220113_JGI-AK_DB-TM_506963_LemCreek_final_QE-HF_HILICZ_USHXG01602_NEG_MSMS_11_biofilm-pellet-1250_2_Rg70to1050-CE102040--S1_Run69.mzML
bpbowen/20220113_JGI-AK_DB-TM_506963_LemCreek_final_QE-HF_HILICZ_USHXG01602_negative/rawdata//20220113_JGI-AK_DB-TM_506963_LemCreek_final_QE-HF_HILICZ_USHXG01602_NEG_MSMS_9_biofilm-pellet-1250_1_Rg70to1050-CE102040--S1_Run23.mzML
bpbowen/20220113_JGI-AK_DB-TM_506963_LemCreek_final_QE-HF_HILICZ_USHXG01602_negative/rawdata//20220113_JGI-AK_DB-TM_506963_LemCreek_final_QE-HF_HILICZ_USHXG01602_NEG_MSMS_27_biofilm-pellet-1925_2_Rg70to1050-CE102040--S1_Run75.mzML
bpbowen/20220113_JGI-AK_DB-TM_506963_LemCreek_final_QE-HF_HILICZ_USHXG01602_negative/rawdata//20220113_JGI-AK_DB-TM_506963_LemCreek_final_QE-HF_HILICZ_USHXG01602_NEG_MSMS_65_ExCtrl-pellet-soil_1_Rg70to1050-CE102040--S1_Run148.mzML
bpbowen/20220113_JGI-AK_DB-TM_506963_LemCreek_final_QE-HF_HILICZ_USHXG01602_negative/rawdata//20220113_JGI-AK_DB-TM_506963_LemCreek_final_QE-HF_HILICZ_USHXG01602_NEG_MSMS_20_biofilm-super-1650_2_Rg70to1050-CE102040--S1_Run56.mzML
bpbowen/20220113_JGI-AK_DB-TM_506963_LemCreek_final_QE-HF_HILICZ_USHXG01602_negative/rawdata//20220113_JGI-AK_DB-TM_506963_LemCreek_final_QE-HF_HILICZ_USHXG01602_NEG_MSMS_16_biofilm-super-1250_4_Rg70to1050-CE205060--S1_Run133.mzML
bpbowen/20220113_JGI-AK_DB-TM_506963_LemCreek_final_QE-HF_HILICZ_USHXG01602_negative/rawdata//20220113_JGI-AK_DB-TM_506963_LemCreek_final_QE-HF_HILICZ_USHXG01602_NEG_MSMS_12_biofilm-super-1250_2_Rg70to1050-CE102040--S1_Run63.mzML
bpbowen/20220113_JGI-AK_DB-TM_506963_LemCreek_final_QE-HF_HILICZ_USHXG01602_negative/rawdata//20220113_JGI-AK_DB-TM_506963_LemCreek_final_QE-HF_HILICZ_USHXG01602_NEG_MSMS_70_ExCtrl-super-biofilm_2_Rg70to1050-CE102040--S1_Run66.mzML
bpbowen/20220113_JGI-AK_DB-TM_506963_LemCreek_final_QE-HF_HILICZ_USHXG01602_negative/rawdata//20220113_JGI-AK_DB-TM_506963_LemCreek_final_QE-HF_HILICZ_USHXG01602_NEG_MSMS_6_biofilm-super-0730_3_Rg70to1050-CE102040--S1_Run90.mzML
bpbowen/20220113_JGI-AK_DB-TM_506963_LemCreek_final_QE-HF_HILICZ_USHXG01602_negative/rawdata//20220113_JGI-AK_DB-TM_506963_LemCreek_final_QE-HF_HILICZ_USHXG01602_NEG_MSMS_26_biofilm-super-1925_1_Rg70to1050-CE102040--S1_Run20.mzML
bpbowen/20220113_JGI-AK_DB-TM_506963_LemCreek_final_QE-HF_HILICZ_USHXG01602_negative/rawdata//20220113_JGI-AK_DB-TM_506963_LemCreek_final_QE-HF_HILICZ_USHXG01602_NEG_MSMS_60_soil-super-1925_4_Rg70to1050-CE205060--S1_Run225.mzML
bpbowen/20220113_JGI-AK_DB-TM_506963_LemCreek_final_QE-HF_HILICZ_USHXG01602_negative/rawdata//20220113_JGI-AK_DB-TM_506963_LemCreek_final_QE-HF_HILICZ_USHXG01602_NEG_MSMS_10_biofilm-super-1250_1_Rg70to1050-CE102040--S1_Run41.mzML

Sample Metadata Table
bpbowen/20220113_JGI-AK_DB-TM_506963_LemCreek_final_QE-HF_HILICZ_USHXG01602_negative/samplemetadata/20220113_JGI-AK_DB-TM_506963_LemCreek_final_QE-HF_HILICZ_USHXG01602_negative_metadata.tab
Spectral Library
speclibs/CASMI/CASMI.mgf
speclibs/GNPS-SCIEX-LIBRARY/GNPS-SCIEX-LIBRARY.mgf
speclibs/MONA/MONA.mgf
speclibs/GNPS-NIH-CLINICALCOLLECTION2/GNPS-NIH-CLINICALCOLLECTION2.mgf
speclibs/GNPS-SELLECKCHEM-FDA-PART1/GNPS-SELLECKCHEM-FDA-PART1.mgf
speclibs/GNPS-COLLECTIONS-PESTICIDES-NEGATIVE/GNPS-COLLECTIONS-PESTICIDES-NEGATIVE.mgf
speclibs/LDB_POSITIVE/LDB_POSITIVE.mgf
speclibs/GNPS-NIH-NATURALPRODUCTSLIBRARY/GNPS-NIH-NATURALPRODUCTSLIBRARY.mgf
speclibs/GNPS-NIH-CLINICALCOLLECTION1/GNPS-NIH-CLINICALCOLLECTION1.mgf
speclibs/BERKELEY-LAB/BERKELEY-LAB.mgf
speclibs/MMV_POSITIVE/MMV_POSITIVE.mgf
speclibs/GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE/GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE.mgf
speclibs/GNPS-SELLECKCHEM-FDA-PART2/GNPS-SELLECKCHEM-FDA-PART2.mgf
speclibs/PNNL-LIPIDS/PNNL-LIPIDS-NEGATIVE.mgf
speclibs/PNNL-LIPIDS/PNNL-LIPIDS-POSITIVE.mgf
speclibs/GNPS-NIST14-MATCHES/GNPS-NIST14-MATCHES.mgf
speclibs/IQAMDB/IQAMDB.mgf
speclibs/GNPS-IOBA-NHC/GNPS-IOBA-NHC.mgf
speclibs/GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE/GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE.mgf
speclibs/BILELIB19/BILELIB19.mgf