Supporting data for CRACMMv1, including the SPECIATE database mapped to CRACMM, input to the Speciation Tool, profile files output from Speciation Tool for input to SMOKE, python code for mapping species to CRACMM, chemical mechanism, and mechanism metadata is available at https://github.com/USEPA/CRACMM. Specific analyses and scripts used in the manuscript "Linking gas, particulate, and toxic endpoints to air emissions in the Community Regional Atmospheric Chemistry Multiphase Mechanism (CRACMM) version 1.0" such as the 2017 U.S. species-level inventory and code for figures is available here.

Data include public CMAQv5.3-5.4 code, the exact CMAQ code used in the accompanying manuscript, chemistry box model (F0AM) inputs, and CMAQ predictions of ozone at AQS sites. Ozone units are ppb unless otherwise indicated.

Data include public CMAQv5.3-5.4 code, the exact CMAQ code used in the accompanying manuscript, chemistry box model (F0AM) inputs, and CMAQ predictions of ozone at AQS sites. Ozone units are ppb unless otherwise indicated.

Data zip file contains the exact CMAQ code used by Wiser et al. in the development of CRACMM1AMORE. In addition, CMAQ predictions and AQS observations of formaldehyde and ozone appearing in Figure 8 are included as csv files. For information on CMAQ file conventions as well as site compare output for model/observation evaluation, see the linked github repository for CMAQ. Linked dois include the standard CMAQv5.3.3 code and AMORE supplementary files.

This dataset contains a link to the public EPA CRACMM github repository and an update (zip file) that will be put into the repo.

CMAQ predicted concentration file. This dataset is associated with the following publication: Li, Q., R. Borge, G. Sarwar, D. de la Paz, B. Gantt, J. Domingo, C. Cuevas, and A. Saiz-Lopez. Impact of halogen chemistry on air quality in coastal and continental Europe: application of CMAQ model and implication for regulation. Atmospheric Chemistry and Physics. Copernicus Publications, Katlenburg-Lindau, GERMANY, 19(24): 15321-15337, (2019).

CMAQ predicted concentration file. This dataset is associated with the following publication: Li, Q., R. Borge, G. Sarwar, D. de la Paz, B. Gantt, J. Domingo, C. Cuevas, and A. Saiz-Lopez. Impact of halogen chemistry on air quality in coastal and continental Europe: application of CMAQ model and implication for regulation. Atmospheric Chemistry and Physics. Copernicus Publications, Katlenburg-Lindau, GERMANY, 19(24): 15321-15337, (2019).

The data in this archive in in a zipped R data binary format, https://cran.r-project.org/doc/manuals/r-release/R-data.html. These data can be read by using the open source and free to use statistical software package R, https://www.r-project.org/. The data are organized following the figure numbering in the manuscript, e.g. Figure 1a is fig1a, and contains the same labeling as the figures including units and variable names. For a full explanation of the figure, please see the captions in the manuscript. To open this data file, use the following commands in R. > load(‘JKelly_NH4NO3_JGR_2018.rdata’) To list the contents of the file, use the following command in R > ls() The data for each figure is contained in the data object with the figures name. To list the data, simply type the name of the figure returned from the ls() command. The original model output and emissions used for this study are located on the ASM archived storage at /asm/ROMO/finescale/sjv2013. These data are in NetCDF format with self contained metadata with descriptive headers containing variable names, units, and simulation times. This dataset is associated with the following publication: Kelly, J., C. Parworth, Q. Zhang, D. Miller, K. Sun, M. Zondlo , K. Baker, A. Wisthaler, J. Nowak , S. Pusede , R. Cohen , A. Weinheimer , A. Beyersdorf , G. Tonnesen, J. Bash, L. Valin, J. Crawford, A. Fried , and J. Walega. Modeling NH4NO3 Over the San Joaquin Valley During the 2013 DISCOVER‐AQ Campaign. JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES. American Geophysical Union, Washington, DC, USA, 123(9): 4727-4745, (2018).

The data in this archive in in a zipped R data binary format, https://cran.r-project.org/doc/manuals/r-release/R-data.html. These data can be read by using the open source and free to use statistical software package R, https://www.r-project.org/. The data are organized following the figure numbering in the manuscript, e.g. Figure 1a is fig1a, and contains the same labeling as the figures including units and variable names. For a full explanation of the figure, please see the captions in the manuscript. To open this data file, use the following commands in R. > load(‘JKelly_NH4NO3_JGR_2018.rdata’) To list the contents of the file, use the following command in R > ls() The data for each figure is contained in the data object with the figures name. To list the data, simply type the name of the figure returned from the ls() command. The original model output and emissions used for this study are located on the ASM archived storage at /asm/ROMO/finescale/sjv2013. These data are in NetCDF format with self contained metadata with descriptive headers containing variable names, units, and simulation times. This dataset is associated with the following publication: Kelly, J., C. Parworth, Q. Zhang, D. Miller, K. Sun, M. Zondlo , K. Baker, A. Wisthaler, J. Nowak , S. Pusede , R. Cohen , A. Weinheimer , A. Beyersdorf , G. Tonnesen, J. Bash, L. Valin, J. Crawford, A. Fried , and J. Walega. Modeling NH4NO3 Over the San Joaquin Valley During the 2013 DISCOVER‐AQ Campaign. JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES. American Geophysical Union, Washington, DC, USA, 123(9): 4727-4745, (2018).

The CSIRO Global Atmospheric Sampling Laboratory (GASLAB) Flask Sampling Network archive for the carbon 13 isotope (C13) of atmospheric trace gas carbon dioxide (CO2) concentrations. GASLAB principally analyzes air samples that have been captured at eleven fixed geographic sites and one moving (aircraft over bass strait and Cape Grim), but also includes other sites at various locations globally on a less regular or as needed basis. The CO2C13 measurements are made by concentrating the CO2 from the air sample utilising a 3 step automated cryogenic trapping system connected to a dual inlet stable isotope ratio mass spectrometer (Finnigan MAT252) for analysis. The CO2 and N2O gas chromatography concentrations data for the sample are used for ion corrections on the stable isotope measurements. Alternatively the Cape Grim in situ air sample (cia) which has already had the trapping process applied to it on site, uses the data from the Cape Grim in situ CO2 analyser, with the N2O concentration determined by interpolation from the CSIRO global flask network data. There are 6 differant types of flask that are used to store and transport air samples from site and in the labratory:(i) glass 0.5 litre ("G050"), (ii) glass 5.0 litre ("G500"), (iii) glass 0.8 litre ("G080"), (iv) electropolished stainless steel 1.6 litre "Sirocans" ("S160"), (v) glass 2.0 litre, 1 stopcopck ("F", "FF", "FA", "FE", "EP", ALT"), (vi) glass 2.0 litre, 2 stopcocks(“M1”, “S”, “P2”, “TEMP”). Files containing a single species value for each sample are denoted by a filename of the form (XXX_XXXX_event.XXX), for the geographically fixed sites data is also provided in the form of monthly means (e.g. XXX_XXXX_mm.XXX) with all files being in ascii format.