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lines changed Original file line number Diff line number Diff line change @@ -93,11 +93,11 @@ def batch_lcms_metabolomics():
9393 overall_start = time .time ()
9494
9595 # Parameters
96- input_directory = "/Users/heal742/LOCAL/staging_test "
97- output_directory = "/Users/heal742/LOCAL/staging_processed/processed_EMP500_b2_test "
98- corems_toml_path = "/Users/heal742/LOCAL/05_NMDC/02_MetaMS/data_processing/_emp_500_lcms_metabolomics /metadata/emp_lcms_metab_corems_params .toml"
96+ input_directory = "/Users/heal742/LOCAL/staging "
97+ output_directory = "/Users/heal742/LOCAL/staging_processed/processed_ecofab "
98+ corems_toml_path = "/Users/heal742/LOCAL/05_NMDC/02_MetaMS/data_processing/_bioscales_lcms_metabolomics /metadata/bioscales_hilic_corems .toml"
9999 msp_file_path = "/Users/heal742/LOCAL/05_NMDC/02_MetaMS/metams/test_data/test_lcms_metab_data/20250407_database.msp"
100- scan_translator_path = "/Users/heal742/LOCAL/05_NMDC/02_MetaMS/data_processing/_emp_500_lcms_metabolomics /metadata/emp500_scan_translator .toml"
100+ scan_translator_path = "/Users/heal742/LOCAL/05_NMDC/02_MetaMS/data_processing/_bioscales_lcms_metabolomics /metadata/bioscales_scan_translator .toml"
101101 cores = 5
102102
103103 print ("=" * 80 )
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