About this Dataset

Data For The Community Regional Atmospheric Chemistry Multiphase Mechanism (CRACMM) Version 1.0

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.
Organization: U.S. Environmental Protection Agency
Last updated: 2022-09-29T06:22:53.704052
Tags: air-quality, cmaq, cracmm, hazardous-air-pollutants-haps, nitrogen-and-co-pollutants, ozone, secondary-organic-aerosol-soa

Tables

TableD1–20220913 Cracmm1

@usgov.epa_gov_data_for_the_community_regional_atmospheric_ch_89d404d7.tabled1_20220913_cracmm1

18.11 kB
163 rows
10 columns

CREATE TABLE tabled1_20220913_cracmm1 (
  "species" VARCHAR,
  "description" VARCHAR,
  "phase" VARCHAR,
  "explicit_lumped" VARCHAR,
  "stable" VARCHAR,
  "molecular_weight_g_mol" DOUBLE  -- Molecular Weight (g/mol),
  "representative" VARCHAR,
  "formula" VARCHAR,
  "smiles" VARCHAR,
  "dtxsid" VARCHAR
);

TableD2–20220912 Speciate

@usgov.epa_gov_data_for_the_community_regional_atmospheric_ch_89d404d7.tabled2_20220912_speciate

398.16 kB
2,890 rows
30 columns

CREATE TABLE tabled2_20220912_speciate (
  "species_id" BIGINT,
  "cas" VARCHAR,
  "cas_no_hyphen" VARCHAR,
  "alt_cas" VARCHAR,
  "dsstox_id" VARCHAR,
  "saroad" VARCHAR,
  "srs_id" DOUBLE,
  "nonvoctog" BOOLEAN,
  "pams" BOOLEAN,
  "haps" BOOLEAN,
  "species_name" VARCHAR,
  "representative_compound_name" VARCHAR,
  "representative_compound_dsstox_id" VARCHAR,
  "symbol" VARCHAR,
  "spec_mw" DOUBLE,
  "note" VARCHAR,
  "molecular_formula" VARCHAR,
  "oxygen_to_carbon_ratio" DOUBLE,
  "smiles_notation" VARCHAR,
  "vp_pascal_epi" DOUBLE,
  "vp_pascal_um" DOUBLE,
  "vp_pascal_opera" DOUBLE,
  "atmospheric_hydroxylation_rate_aoh_cm3_molecule_sec_opera" DOUBLE  -- ATMOSPHERIC HYDROXYLATION RATE (AOH) CM3/MOLECULE*SEC OPERA,
  "henrys_law_atm_m3_mole_opera" DOUBLE,
  "octanol_air_partition_coeff_logkoa_opera" VARCHAR,
  "octanol_water_partition_logp_opera" VARCHAR,
  "duplicate_id" VARCHAR,
  "repcmpscore" DOUBLE,
  "cracmm" VARCHAR,
  "n_2017usrocemission_ggperyr" DOUBLE  -- 2017USROCEmission Ggperyr
);

TableD3–20220912 Cracmmhaps

@usgov.epa_gov_data_for_the_community_regional_atmospheric_ch_89d404d7.tabled3_20220912_cracmmhaps

135.17 kB
1,199 rows
18 columns

CREATE TABLE tabled3_20220912_cracmmhaps (
  "species_id" BIGINT,
  "cas" VARCHAR,
  "species_name" VARCHAR,
  "haps" BOOLEAN,
  "representative_compound_name" VARCHAR,
  "casrn" VARCHAR,
  "total_ggperyr" DOUBLE,
  "cracmm" VARCHAR,
  "casfortoxmatch" VARCHAR,
  "speciesfortox" VARCHAR,
  "hapname" VARCHAR,
  "casno" VARCHAR  -- CASNo.,
  "ure1ugm3" DOUBLE,
  "rfcmgm3" DOUBLE,
  "cancerpotential" DOUBLE,
  "noncancerpotential" DOUBLE,
  "soapotential" DOUBLE,
  "o3potential" DOUBLE
);