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: 2022-09-29T06:22:53.704048
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

17.69 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,
  "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

388.83 KB
2890 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,
  "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
);

TableD3–20220912 Cracmmhaps

@usgov.epa_gov_data_for_the_community_regional_atmospheric_ch_89d404d7.tabled3_20220912_cracmmhaps

132 KB
1199 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,
  "ure1ugm3" DOUBLE,
  "rfcmgm3" DOUBLE,
  "cancerpotential" DOUBLE,
  "noncancerpotential" DOUBLE,
  "soapotential" DOUBLE,
  "o3potential" DOUBLE
);

TableD4–20220912 Haplist491

@usgov.epa_gov_data_for_the_community_regional_atmospheric_ch_89d404d7.tabled4_20220912_haplist491

25.97 KB
491 rows
5 columns


CREATE TABLE tabled4_20220912_haplist491 (
  "species_id" BIGINT,
  "cas" VARCHAR,
  "species_name" VARCHAR,
  "representative_compound_name" VARCHAR,
  "casrn" VARCHAR
);