{
  "species": {
    "atom": "Ti",
    "ordinary_formula": "Ti",
    "spectroscopic_notation": "Ti I",
    "charge": 0,
    "name": "titanium",
    "mass_in_Da": 47.867
  },
  "dataset": {
    "name": "NIST",
    "version": 20240901,
    "doi": "",
    "max_temperature": 6000,
    "n_L_default": 0.5,
    "num_pressure_broadeners": 0,
    "nxsec_files": 0,
    "nkcoeff_files": 0,
    "dipole_available": false,
    "cooling_function_available": false,
    "specific_heat_available": false,
    "Ionisation": null,
    "states": {
      "number_of_states": 558,
      "max_energy": 51049.988,
      "lifetime_available": false,
      "lande_g_available": true,
      "uncertainty_available": true,
      "num_quanta": 1,
      "states_file_fields": [
        {
          "name": "ID",
          "desc": "Unique integer identifier for the energy level",
          "ffmt": "I12",
          "cfmt": "%12d"
        },
        {
          "name": "E",
          "desc": "State energy in cm^-1",
          "ffmt": "F12.6",
          "cfmt": "%12.6f"
        },
        {
          "name": "gtot",
          "desc": "State degeneracy",
          "ffmt": "I6",
          "cfmt": "%6d"
        },
        {
          "name": "J",
          "desc": "Total angular momentum quantum number, J (integer)",
          "ffmt": "I7",
          "cfmt": "%7d"
        },
        {
          "name": "Unc",
          "desc": "Uncertainty in the state energy in cm^-1",
          "ffmt": "F12.6",
          "cfmt": "%12.6f"
        },
        {
          "name": "gfactor",
          "desc": "Lande g-factor (optional)",
          "ffmt": "F10.6",
          "cfmt": "%10.6f"
        },
        {
          "name": "qn:configuration",
          "desc": "Configuration for the state",
          "ffmt": "A50",
          "cfmt": "%50s"
        },
        {
          "name": "Multiple",
          "desc": "Term for the state",
          "ffmt": "A30",
          "cfmt": "%30s"
        },
        {
          "name": "qn:parity",
          "desc": "Parity for the state",
          "ffmt": "A1",
          "cfmt": "%1s"
        }
      ]
    },
    "transitions": {
      "number_of_transitions": 496,
      "number_of_transition_files": 1,
      "max_wavenumber": 44155.63,
      "transitions_file_fields": [
        {
          "name": "ID",
          "desc": "Upper state ID",
          "ffmt": "I12",
          "cfmt": "%12d"
        },
        {
          "name": "f",
          "desc": "Lower state ID",
          "ffmt": "I12",
          "cfmt": "%12d"
        },
        {
          "name": "A",
          "desc": "Einstein A coefficient in s^-1",
          "ffmt": "ES10.4",
          "cfmt": "%10.4e"
        },
        {
          "name": "Wavenumber",
          "desc": "Transition wavenumber in cm^-1",
          "ffmt": "E15.6",
          "cfmt": "%15.6e"
        }
      ]
    },
    "partition_function": {
      "max_partition_function_temperature": 6000.0,
      "partition_function_step_size": 1,
      "fields": [
        {
          "name": "T",
          "desc": "Temperature in Kelvin",
          "ffmt": "F8.1",
          "cfmt": "%8.1f"
        },
        {
          "name": "Q(T)",
          "desc": "Partition function (dimensionless)",
          "ffmt": "F15.4",
          "cfmt": "%15.4f"
        }
      ]
    }
  },
  "files": {
    "states": "Ti/NIST/Ti__NIST.states",
    "trans": "Ti/NIST/Ti__NIST.trans",
    "pf": "Ti/NIST/Ti__NIST.pf",
    "definition": "Ti/NIST/Ti__NIST.adef.json"
  }
}