EMELY-C/PM-Analysis-Workflow: TP-Finder-PMD v1.0.0: Initial Release for Publication
Abstract
Summary This is the initial release of TP-Finder-PMD, the Python workflow associated with our manuscript regarding Transformation Product (TP) identification. This version contains the complete source code and example datasets used to generate the results in the paper. Key Features included in v1.0.0: IS Normalization: Automated internal standard correction. PMD Analysis: Paired Mass Difference search algorithm. Statistical Filtering: RSD filtration and Spearman correlation with FDR correction. Compatibility: Supports data processed by MS-DIAL. Usage Please refer to the README.md for installation and usage instructions. The file demo_input.xlsx is provided to test the workflow.
Publication details
- Journal / source
- Zenodo (CERN European Organization for Nuclear Research)
- Publication date
- 9 January 2026