Saville Jack jack.saville@univ-grenoble-alpes.fr 0000-0003-0492-0720 Witwicky Julien Gautier Elsa elsa.gautier@univ-grenoble-alpes.fr 0000-0003-3053-8349 Savarino Joël joel.savarino@cnrs.fr 0000-0002-6708-9623 2026 ESI-Orbitrap sulphate isotopologue data for Dome C aerosol samples dataset https://doi.org/10.1594/PANGAEA.990367 2026-08-05T00:04:53 These ESI-Orbitrap MS sulphate isotopologue data quantify d34S-SO4, D33S-SO4, d18O-SO4 and D17O-SO4 in selected high-volume aerosol samples collected outside Concordia station (75°06'S, 123°20'E, 3233 m a.s.l.) from January - December 2011. The HSO4- isotopologue data were acquired and processed following the ESI-Orbitrap protocol for natural samples detailed by Saville et al. (in prep), using the Orbitrap Exploris 240 mass spectrometer (Thermo Fisher). The dataset, obtained in an experiment conducted in 2025, was acquired for comparison with traditional EA-IRMS (D17O) and MC-ICP-MS (d34S, D33S) isotope meausrements previously made on the same samples (Ishino et al., 2017; 2019; 2021), to test the performance of ESI-Orbitrap for SO4 isotopic analysis. Saville Jack jack.saville@univ-grenoble-alpes.fr 0000-0003-0492-0720 Witwicky Julien Gautier Elsa elsa.gautier@univ-grenoble-alpes.fr 0000-0003-3053-8349 Lamothe Alexis Kuhlbusch Nils Johannes 0009-0008-0913-8678 Alexander Becky Schauer Andrew Burke Andrea Prabhat Priyesh 0000-0003-1491-3794 Stüeken Eva ees4@st-andrews.ac.uk Garber Joshua Caillon Nicolas nicolas.caillon@univ-grenoble-alpes.fr 0000-0002-6318-6194 Savarino Joël joel.savarino@cnrs.fr 0000-0002-6708-9623 2026 Electrospray-Orbitrap Analysis of Nitrate and Sulfate Isotopologues in Natural Samples: Performance and Constraints journal article Analytical Chemistry 98(36) https://doi.org/10.1021/acs.analchem.6c00183 26323-26338 Ishino Saki Hattori Shohei shohato@outlook.jp 0000-0002-4438-5462 Legrand M 0000-0001-7825-5749 Chen Qianjie 0000-0003-4737-5179 Alexander Brian Shao Jun junshao@usc.edu 0000-0001-6130-6474 Huang J Jaeglé L 0000-0003-1866-801X Jourdain Bruno Preunkert Suzanne suzanne.preunkert@univ-grenoble-alpes.fr http://pp.ige-grenoble.fr/pageperso/preunkert/ Yamada A Yoshida Naohiro 0000-0003-0454-3849 Savarino Joël joel.savarino@cnrs.fr 0000-0002-6708-9623 2021 Regional Characteristics of Atmospheric Sulfate Formation in East Antarctica Imprinted on 17 O‐Excess Signature journal article Journal of Geophysical Research: Atmospheres 126(6) https://doi.org/10.1029/2020JD033583 e2020JD033583 Ishino Sakiko 0000-0002-5897-7063 Hattori Shohei shohato@outlook.jp 0000-0002-4438-5462 Savarino Joël joel.savarino@cnrs.fr 0000-0002-6708-9623 Jourdain Bruno Preunkert Susanne 0000-0002-6039-6049 Legrand Michel michel.legrand@lisa.ipsl.fr Caillon Nicolas nicolas.caillon@univ-grenoble-alpes.fr 0000-0002-6318-6194 Barbero Albane albane.barbero@univ-grenoble-alpes.fr https://albanebarbero.jimdofree.com/ 0000-0002-3600-2169 Kuribayashi Kota Yoshida Naohiro 0000-0003-0454-3849 2017 Seasonal variations of triple oxygen isotopic compositions of atmospheric sulfate, nitrate, and ozone at Dumont d'Urville, coastal Antarctica journal article Atmospheric Chemistry and Physics 17(5) https://doi.org/10.5194/acp-17-3713-2017 3713-3727 Ishino Sakiko 0000-0002-5897-7063 Hattori Shohei shohato@outlook.jp 0000-0002-4438-5462 Savarino Joël joel.savarino@cnrs.fr 0000-0002-6708-9623 Legrand Michel michel.legrand@lisa.ipsl.fr Albalat Emmanuelle Albarede Francis 0000-0003-1994-1428 Preunkert Susanne 0000-0002-6039-6049 Jourdain Bruno Yoshida Naohiro 0000-0003-0454-3849 2019 Homogeneous sulfur isotope signature in East Antarctica and implication for sulfur source shifts through the last glacial-interglacial cycle journal article Scientific Reports 9(1) https://doi.org/10.1038/s41598-019-48801-1 12378 123.34 123.34 -75.1 -75.1 123.34 -75.1 3233.0 3233.0 point European Research Council ERC https://erc.europa.eu https://doi.org/10.13039/501100000781 101054558 Deciphering the Oxidizing Capacity of the PAST atmosphere https://cordis.europa.eu/project/id/101054558/fr Station_Concordia -75.1 123.34 Dome C, Antarctica 3233.0 Multiple investigations MULT 880.6 CC-BY-4.0 Creative Commons Attribution 4.0 International https://creativecommons.org/licenses/by/4.0/ File descriptions: Level 1 data raw files: Series of .RAW files are high-resolution mass spectra obtained by ESI-Orbitrap during an acquisition sequence, in M0 mode Series of .isox files with the same file names as the .RAW files are csv-format tables containing isotopologue data extracted from .RAW files using IsoX software (Version 2022, Thermo Fisher) Metadata file sequence.csv lists the identity of each .RAW file, in addition to acquisition parameters, in the sequence. Level 4 treated data files: results_YYYY-MM-DD.xlsx for the sequence, contains sheets tabulating injection average isotopologue ratios and metadata, bracketed isotopologue delta values for each sample injection and a summary of bracketed internal delta values where replicate analyses are averaged DC-2011-HSO4_calibrated_M0-only_YYYY-MM-DD.xlsx, for each sample batch, contains sheets tabulating uncalibrated delta values, calibrated delta values, and derived capital Delta values, as well as calibration metadata CurationLevelB Basic curation https://wiki.pangaea.de/wiki/Curation_levels citable aerosol Antarctica Dome C isotope Orbitrap sulfate author103391 author111390 author114690 author114691 author114705 author114706 author114707 author114708 author114709 author114710 author114711 author114712 author119304 author119305 author119306 author119307 author119308 author119309 author23145 author33341 author35220 author53310 author66930 author69203 author74076 author74077 author76162 author81207 author81288 author82027 author82897 author87618 award4788 curlevel20 event2752908 funder20666 geocode1600 geocode1601 geocode8128 journal16727 journal1752 journal8819 journal957 license21 method10667 ref137692 ref137699 ref137700 ref137701 term20861 term47208 term47838 term49756 term49798 term68466 term69838 topotype2