Data for, "High-Resolution Mass Spectrometry for Nitrate Aerosol Isotopologue Quantification: Method Development, Calibration, and Application to Atmospheric Samples"

This dataset contains all experimental and analytical data associated with the manuscript “High-Resolution Orbitrap-Based Quantification of Nitrate Isotopologues in Aerosols: Overcoming Matrix and Concentration Biases for Clumped Isotope Analysis.” The data include the measurements from electrospray ionization Orbitrap mass spectrometry (ESI–Orbitrap) and denitrifier-based isotope ratio mass spectrometry (IRMS) used to quantify δ¹⁵N, δ¹⁸O, δ¹⁷O, and multiply substituted (“clumped”) nitrate isotopologues (¹⁵N¹⁸O, ¹⁸O¹⁸O, ¹⁷O¹⁸O) in atmospheric aerosol samples. Supporting ion chromatography (IC) purification and separation data, and ESI-Orbitrap method files are also provided. The data are organized by figure number. Each subfolder contains a brief README file describing the contents, file formats, and units.