Automated Workflow Composition System for LC-HRMS Metabolomics Research

The objective of this study is to develop an automated workflow composition system for LC-HRMS metabolomics data processing. The system is built upon APE

How to reproduce the result

bash run.sh

Recommended workflows for the three use cases will be stored under folders LC_MS_Metabolomics/No1_function/. LC_MS_Metabolomics/No2_function/, LC_MS_Metabolomics/No3_function/.

Related configurations

1. The domain model is stored in LCMS_Metabolomics/bio.tools_lcms_metabolomics_function.json

2. Workflow specification are stored in files LCMS_Metabolomics/No1_function/config_no1.json. LCMS_Metabolomics/No2_function/config_no2.json, LCMS_Metabolomics/No3_function/config_no3.json.

3. Workflow constraints are stored in files LCMS_Metabolomics/No1_function/constraints_no1.json. LCMS_Metabolomics/No2_function/constraints_no2.json, LCMS_Metabolomics/No3_function/constraints_no3.json.