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).

Files contain values from Figures 1, 2, and 3 of the article by Pye et al., "Leveraging scientific community knowledge for air quality model chemistry parameterizations," scheduled for publication in EM in January 2024. Figures 2 and 3 are available in csv and excel spreadsheet format. Figure 1 is only available in spreadsheet format. Figure 1 shows gas and aerosol-phase chemistry representations in CMAQ since 2010. Figure 2 shows ozone and SOA formation potential (in g/g) for CRACMM species. Figure 3 shows the size (number of species and reactions) for various chemical mechanisms. This dataset is associated with the following publication: Pye, H., R. Schwantes, K. Barsanti, V.F. McNeill, and G. Wolfe. Leveraging scientific community knowledge for air quality model chemistry parameterizations. EM Magazine. Air and Waste Management Association, Pittsburgh, PA, USA, 24-31, (2024).

L1_cation.txt is a text dump of CEC data from EPIC output for the 12 km CMAQ grid for each of 42 crop types CMAQv53_bidi_fix_NH3_290871_scatterplot.csv is data table used for scatter plot of observed vs AMoN NH3 concentrations shown is fig 5 in the paper CMAQv53_bidi_fix_PM25_NH4_494657_spatialplot_diff.csv is the data table used to produce the spatial plot of the biases in modeled ammonium PM2.5 (g m-3) compared to CSN (circles), CASTNet (triangles), and SEARCH (squares) networks averaged over May to September 2016 as shown in Fig6. CMAQv53_bidi_fix_PM25_SO4_886932_spatialplot_diff.csv is the data table used to produce the spatial plot of the biases in modeled sulfate PM2.5 (g m-3) compared to IMPROVE (circles), CSN (triangles), CASTNET (squares), and SEARCH (diamonds) networks averaged over May to September 2016. This dataset is associated with the following publication: Pleim, J., L. Ran, K. Appel, M. Shephard, and K. Cady-Pereira. New Bidirectional Ammonia Flux Model in an Air Quality Model Coupled With an Agricultural Model. Journal of Advances in Modeling Earth Systems. John Wiley & Sons, Inc., Hoboken, NJ, USA, 11(9): 2934-2957, (2019).

L1_cation.txt is a text dump of CEC data from EPIC output for the 12 km CMAQ grid for each of 42 crop types CMAQv53_bidi_fix_NH3_290871_scatterplot.csv is data table used for scatter plot of observed vs AMoN NH3 concentrations shown is fig 5 in the paper CMAQv53_bidi_fix_PM25_NH4_494657_spatialplot_diff.csv is the data table used to produce the spatial plot of the biases in modeled ammonium PM2.5 (g m-3) compared to CSN (circles), CASTNet (triangles), and SEARCH (squares) networks averaged over May to September 2016 as shown in Fig6. CMAQv53_bidi_fix_PM25_SO4_886932_spatialplot_diff.csv is the data table used to produce the spatial plot of the biases in modeled sulfate PM2.5 (g m-3) compared to IMPROVE (circles), CSN (triangles), CASTNET (squares), and SEARCH (diamonds) networks averaged over May to September 2016. This dataset is associated with the following publication: Pleim, J., L. Ran, K. Appel, M. Shephard, and K. Cady-Pereira. New Bidirectional Ammonia Flux Model in an Air Quality Model Coupled With an Agricultural Model. Journal of Advances in Modeling Earth Systems. John Wiley & Sons, Inc., Hoboken, NJ, USA, 11(9): 2934-2957, (2019).

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.

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.

Annual CMAQ model output for 2016 for approximately six different simulations. This dataset is not publicly accessible because: Data are too large to upload to ScienceHub. It can be accessed through the following means: These data can be requested from the author. Format: Data formats include I/O API and csv. This dataset is associated with the following publication: Appel, K.W., J. Bash, K. Fahey, K. Foley, R. Gilliam, C. Hogrefe, B. Hutzell, D. Kang, R. Mathur, B. Murphy, S. Napelenok, C. Nolte, J. Pleim, G. Pouliot, H. Pye, G. Sarwar, D. Schwede, F. Sidi, T. Spero, D. Wong, L. Ran, and S. Roselle. The Community Multiscale Air Quality (CMAQ) Model Version 5.3: System Updates and Evaluation. Geoscientific Model Development. Copernicus Publications, Katlenburg-Lindau, GERMANY, 14: 2867-2897, (2021).

Annual CMAQ model output for 2016 for approximately six different simulations. This dataset is not publicly accessible because: Data are too large to upload to ScienceHub. It can be accessed through the following means: These data can be requested from the author. Format: Data formats include I/O API and csv. This dataset is associated with the following publication: Appel, K.W., J. Bash, K. Fahey, K. Foley, R. Gilliam, C. Hogrefe, B. Hutzell, D. Kang, R. Mathur, B. Murphy, S. Napelenok, C. Nolte, J. Pleim, G. Pouliot, H. Pye, G. Sarwar, D. Schwede, F. Sidi, T. Spero, D. Wong, L. Ran, and S. Roselle. The Community Multiscale Air Quality (CMAQ) Model Version 5.3: System Updates and Evaluation. Geoscientific Model Development. Copernicus Publications, Katlenburg-Lindau, GERMANY, 14: 2867-2897, (2021).

Input files for running the Community Multiscale Air Quality (CMAQ) modeling system. Input files include emissions, meteorology, boundary and initial conditions, and other ancillary data needed for running a simulation over the contiguous United States (12US2 domain) for December 22, 2015 - January 31, 2016. These input data can be used with two online tutorials described in Efstathiou et al. to set up and run a CMAQ simulation on Amazon Web Services and Microsoft Azure cloud computing resources. Data are netcdf formatted files using I/O API data structures (https://www.cmascenter.org/ioapi/). Information on variables within the files (variable names and units) and the model projection and grid structure is contained in the header information of each netcdf file.

Input files for running the Community Multiscale Air Quality (CMAQ) modeling system. Input files include emissions, meteorology, boundary and initial conditions, and other ancillary data needed for running a simulation over the contiguous United States (12US2 domain) for December 22, 2015 - January 31, 2016. These input data can be used with two online tutorials described in Efstathiou et al. to set up and run a CMAQ simulation on Amazon Web Services and Microsoft Azure cloud computing resources. Data are netcdf formatted files using I/O API data structures (https://www.cmascenter.org/ioapi/). Information on variables within the files (variable names and units) and the model projection and grid structure is contained in the header information of each netcdf file.