This repository contains data processing code and code to generate figures associated with "Simultaneous Observation of 2H and 13C enrichment of Methyl Phosphonic Acid via Orbitrap-IRMS With Applications to Nerve Agent Forensics".

run120k.ipynb and run45k.ipynb can be used to run the 120k and 45k datasets, respectively. The Figure 2 and Figures 3_4_5 .ipynb files contain code to generate those figures. .json files contain reference data and the results of run120k.ipynb and run45k.ipynb. ReadProcessCSV contains data processing code.