10.1594/PANGAEA.990372Saville, JackJackSaville0000-0003-0492-0720Witwicky, JulienJulienWitwickyGautier, ElsaElsaGautier0000-0003-3053-8349Savarino, JoëlJoëlSavarino0000-0002-6708-9623PANGAEA2026IsotopologueNitrate isotopesOrbitrapstabilitysulfate isotopesDataset10.1021/acs.analchem.6c00183466.5 MBytesapplication/zipCreative Commons Attribution 4.0 InternationalIn an attempt to quantify the stability of nitrate and sulphate isotopologue ratios meausred by ESI-Orbitrap using Allan deviation and Hadamard deviation metrics, these long duration (12 hour or 20 hour) ESI-Orbitrap continuous acquisitions were acquired from pure, 45uM NaNO3 or Na2SO4 methanolic solutions, infused to ESI-Orbitrap at 4 uL/min by syringe pump. Acquisitions were made in both M0 and no-M0 modes for NO3 and HSO4, with parameters as described by Saville et al. (in prep).File descriptions:
Level 1 data raw files:
.RAW files are high-resolution mass spectra obtained by ESI-Orbitrap during a continuous NO3 or HSO4 acquisition, containing data for both M0 and no-M0 modes (.raw files are approximately 500 MB each (x2)).
.isox files are csv-format tables containing isotopologue data extracted from .RAW files using IsoX software (Version 2022, Thermo Fisher), after splitting into M0 and no-M0 acquisitions. (.isox file (.isox files are approximately 60 MB each (x4)).
Metadata file sequence.csv lists the identity of each.European Research Councilhttps://doi.org/10.13039/501100000781101054558Deciphering the Oxidizing Capacity of the PAST atmosphere