Multimodal LC–HRMS × ICP–MS/MS Data Processing Workflows (Scripts 1–3 and MS² Batch Validation)

This repository contains the computational workflows used in the manuscript, including Script 1 (MS1 detection and isotopic validation), Script 2 (MS² presence verification and quality control), Script 3 (LC–HRMS × ICP–MS/MS overlap analysis), and the batch MS² validation workflow. The scripts were developed to support multimodal metabolomics and metallomics analyses and are provided to ensure transparency and reproducibility of the data processing pipeline described in the manuscript.