4c7e812010a441e8afe5f91cfc4e8b7d English 8-bit variable size UCS Transfer Format, based on ISO/IEC 10646 dataset NERC EDS Centre for Environmental Data Analysis 01235446432 RAL Space STFC Rutherford Appleton Laboratory, Harwell Campus Didcot OX11 0QX United Kingdom support@ceda.ac.uk pointOfContact 2026-09-21T20:27:19 UK GEMINI 2.3 WGS 84 Secondary Organic Aerosol Prediction in Realistic Atmospheres (SOAPRA) laboratory data set (2024) 2026-07-07T09:00:06 publication 2026-07-07T09:00:06 creation https://catalogue.ceda.ac.uk/uuid/4c7e812010a441e8afe5f91cfc4e8b7d 4c7e812010a441e8afe5f91cfc4e8b7d NERC EDS Centre for Environmental Data Analysis Funded by the UK's Natural Environment Research Council (NERC) under grant NE/V012665/1, the Secondary Organic Aerosol Prediction in Realistic Atmospheres (SOAPRA) project aimed to advance the predictive capability for secondary organic aerosol in the atmosphere. A key component of the work was development of a method to constrain the rate coefficients of gas-phase reaction rates relevant to secondary organic aerosol, as published in https://doi.org/10.5194/ar-3-417-2025. The method and it's associated software were called autoCONSTRAINT, and its dataset is contained in this record. As part of this paper, the PyCHAM (CHemistry with Aerosol Microphysics in Python) computational model was used, with the relevant outputs contained in PyCHAM_simulation_outputs_for_autoCONSTRAINT_comparison.nc. Specifically, identifiers and concentrations of individual components output from PyCHAM are provided. The outputs from autoCONSTRAINT, relevant to this paper, are contained in autoCONSTRAINT_outputs.nc. Specifically, chemical reactions, rate coefficients and radical names are provided. Concentrations, rate coefficients, chemical reactions and component names have been recorded, in the form of netcdf files, with separate variables for each of these recordings. Results are for simulated laboratory experiments in aerosol chambers, with simulated experiments typically last for approximately 7 hours. The description of the PyCHAM and autoCONSTRAINT methods are provided in https://doi.org/10.5194/ar-3-417-2025. This work was carried out because previously a repeatable and standardisable method for quantifying rate coefficients from aerosol chamber experiments was unavailable. The work was primarily completed by Lukas Pichelstorfer, with support from Simon O'Meara, and the principal investigator was Gordon McFiggans. All data relevant to the project's 2025 paper (https://doi.org/10.5194/ar-3-417-2025) are provided. Pichelstorfer, Lukas Unavailable author Unavailable author O'Meara, Simon Unavailable author Unavailable author McFiggans, Gordon Unavailable author Unavailable author NERC EDS Centre for Environmental Data Analysis custodian 01235446432 RAL Space STFC Rutherford Appleton Laboratory, Harwell Campus Didcot OX11 0QX United Kingdom support@ceda.ac.uk custodian NERC EDS Centre for Environmental Data Analysis distributor 01235446432 RAL Space STFC Rutherford Appleton Laboratory, Harwell Campus Didcot OX11 0QX United Kingdom support@ceda.ac.uk distributor McFiggans, Gordon Unavailable principal_investigator Unavailable principalInvestigator NERC EDS Centre for Environmental Data Analysis point_of_contact 01235446432 RAL Space STFC Rutherford Appleton Laboratory, Harwell Campus Didcot OX11 0QX United Kingdom support@ceda.ac.uk pointOfContact NERC EDS Centre for Environmental Data Analysis publisher 01235446432 RAL Space STFC Rutherford Appleton Laboratory, Harwell Campus Didcot OX11 0QX United Kingdom support@ceda.ac.uk publisher unknown dataset Secondary organic aerosol Computational simulation Chemical kinetics Organic chemistry Photochemistry Atmospheric Science Atmospheric Chemistry atmospheric conditions theme GEMET - INSPIRE themes, version 1.0 2008-06-01 publication otherRestrictions Public data: access to these data is available to both registered and non-registered users. otherRestrictions Under the following licence http://www.nationalarchives.gov.uk/doc/open-government-licence/version/3/, appropriate use of these data may fall under any and attribution required use. This message is intended as guidance, always read the full licence. When using these data you must cite them correctly using the citation given on the CEDA Data Catalogue record. grid English climatologyMeteorologyAtmosphere -180.0 180.0 -90.0 90.0 2024-07-17T00:00:00 2024-07-17T23:59:59 netcdf NERC EDS Centre for Environmental Data Analysis Data Center Contact 01235446432 RAL Space STFC Rutherford Appleton Laboratory, Harwell Campus Didcot OX11 0QX United Kingdom support@ceda.ac.uk distributor https://catalogue.ceda.ac.uk/uuid/4c7e812010a441e8afe5f91cfc4e8b7d CEDA Data Catalogue Page Detail and access information for the resource information http://data.ceda.ac.uk/badc/deposited2026/SOAPRA DOWNLOAD Download Data download https://doi.org/10.5194/ar-3-417-2025 A theory-informed, experiment-based constraint on the rate of autoxidation chemistry – an analytical approach No further details. information dataset Commission Regulation (EU) No 1089/2010 of 23 November 2010 implementing Directive 2007/2/EC of the European Parliament and of the Council as regards interoperability of spatial data sets and services 2010-12-08 The data was created by the authors during the stated temporal range using the tools described in the Description section of this record. Data were produced by the project team and supplied for archiving at the Centre for Environmental Data Analysis (CEDA).