format of PartMC raw output

Here is a sample of PartMC raw output

import xarray as xr
p = "../data/urban_plume_0001_00000002.nc"
ds = xr.open_dataset(p)
ds

<xarray.Dataset>
Dimensions:                     (gas_species: 77, aero_species: 20,
                                 aero_source: 8, aero_weight_group: 2,
                                 aero_weight_class: 8, aero_particle: 1246,
                                 aero_removed: 4636)
Coordinates:
  * gas_species                 (gas_species) int32 1 2 3 4 5 ... 73 74 75 76 77
  * aero_species                (aero_species) int32 1 2 3 4 5 ... 17 18 19 20
  * aero_source                 (aero_source) int32 1 2 3 4 5 6 7 8
  * aero_weight_group           (aero_weight_group) int32 1 2
  * aero_weight_class           (aero_weight_class) int32 1 2 3 4 5 6 7 8
  * aero_particle               (aero_particle) int32 1 2 3 4 ... 1244 1245 1246
  * aero_removed                (aero_removed) int32 1 2 3 4 ... 4634 4635 4636
Data variables: (12/48)
    time                        float64 3.6e+03
    timestep                    float64 60.0
    timestep_index              int32 2
    repeat                      int32 1
    temperature                 float64 292.5
    relative_humidity           float64 0.8126
    ...                          ...
    aero_refract_core_real      (aero_particle) float64 0.0 0.0 0.0 ... 0.0 0.0
    aero_refract_core_imag      (aero_particle) float64 0.0 0.0 0.0 ... 0.0 0.0
    aero_core_vol               (aero_particle) float64 0.0 0.0 0.0 ... 0.0 0.0
    aero_removed_id             (aero_removed) int32 134 602 715 ... 5534 5783
    aero_removed_action         (aero_removed) int32 1 1 1 4 3 3 ... 1 1 1 1 1 4
    aero_removed_other_id       (aero_removed) int32 32767 32767 ... 32767 0
Attributes:
    title:        PartMC version 2.5.0 output file
    source:       PartMC version 2.5.0
    UUID:         A96876F0-F62E-45FB-AC47-2FB221548641
    history:      2021-09-22T15:54:26.773-05:00 created by PartMC version 2.5.0
    Conventions:  CF-1.4

xarray.Dataset

• Dimensions:
  • gas_species: 77
  • aero_species: 20
  • aero_source: 8
  • aero_weight_group: 2
  • aero_weight_class: 8
  • aero_particle: 1246
  • aero_removed: 4636
• Coordinates: (7)
  • gas_species
    (gas_species)
    int32
    1 2 3 4 5 6 7 ... 72 73 74 75 76 77

    names :

    H2SO4,HNO3,HCl,NH3,NO,NO2,NO3,N2O5,HONO,HNO4,O3,O1D,O3P,OH,HO2,H2O2,CO,SO2,CH4,C2H6,CH3O2,ETHP,HCHO,CH3OH,ANOL,CH3OOH,ETHOOH,ALD2,HCOOH,RCOOH,C2O3,PAN,ARO1,ARO2,ALK1,OLE1,API1,API2,LIM1,LIM2,PAR,AONE,MGLY,ETH,OLET,OLEI,TOL,XYL,CRES,TO2,CRO,OPEN,ONIT,ROOH,RO2,ANO2,NAP,XO2,XPAR,ISOP,ISOPRD,ISOPP,ISOPN,ISOPO2,API,LIM,DMS,MSA,DMSO,DMSO2,CH3SO2H,CH3SCH2OO,CH3SO2,CH3SO3,CH3SO2OO,CH3SO2CH2OO,SULFHOX

    description :

    dummy dimension variable (no useful value) - read species names as comma-separated values from the 'names' attribute

    array([ 1,  2,  3,  4,  5,  6,  7,  8,  9, 10, 11, 12, 13, 14, 15, 16, 17, 18,
           19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36,
           37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54,
           55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72,
           73, 74, 75, 76, 77], dtype=int32)

  • aero_species
    (aero_species)
    int32
    1 2 3 4 5 6 7 ... 15 16 17 18 19 20

    names :

    SO4,NO3,Cl,NH4,MSA,ARO1,ARO2,ALK1,OLE1,API1,API2,LIM1,LIM2,CO3,Na,Ca,OIN,OC,BC,H2O

    description :

    dummy dimension variable (no useful value) - read species names as comma-separated values from the 'names' attribute

    array([ 1,  2,  3,  4,  5,  6,  7,  8,  9, 10, 11, 12, 13, 14, 15, 16, 17, 18,
           19, 20], dtype=int32)

  • aero_source
    (aero_source)
    int32
    1 2 3 4 5 6 7 8

    names :

    init_small,init_large,paved_road,cooking,diesel,gasoline,back_small,back_large

    description :

    dummy dimension variable (no useful value) - read source names as comma-separated values from the 'names' attribute

    array([1, 2, 3, 4, 5, 6, 7, 8], dtype=int32)

  • aero_weight_group
    (aero_weight_group)
    int32
    1 2

    description :

    dummy dimension variable (no useful value)

    array([1, 2], dtype=int32)

  • aero_weight_class
    (aero_weight_class)
    int32
    1 2 3 4 5 6 7 8

    description :

    dummy dimension variable (no useful value)

    array([1, 2, 3, 4, 5, 6, 7, 8], dtype=int32)

  • aero_particle
    (aero_particle)
    int32
    1 2 3 4 5 ... 1243 1244 1245 1246

    description :

    dummy dimension variable (no useful value)

    array([   1,    2,    3, ..., 1244, 1245, 1246], dtype=int32)

  • aero_removed
    (aero_removed)
    int32
    1 2 3 4 5 ... 4633 4634 4635 4636

    description :

    dummy dimension variable (no useful value)

    array([   1,    2,    3, ..., 4634, 4635, 4636], dtype=int32)

• Data variables: (48)
  • time
    ()
    float64
    ...

    unit :

    s

    description :

    time elapsed since simulation start

    array(3600.)

  • timestep
    ()
    float64
    ...

    unit :

    s

    description :

    current timestep size

    array(60.)

  • timestep_index
    ()
    int32
    ...

    description :

    an integer that is 1 on the first timestep, 2 on the second timestep, etc.

    array(2, dtype=int32)

  • repeat
    ()
    int32
    ...

    description :

    repeat number of this simulation (starting from 1)

    array(1, dtype=int32)

  • temperature
    ()
    float64
    ...

    unit :

    K

    standard_name :

    air_temperature

    array(292.5)

  • relative_humidity
    ()
    float64
    ...

    unit :

    1

    standard_name :

    relative_humidity

    array(0.812598)

  • pressure
    ()
    float64
    ...

    unit :

    Pa

    standard_name :

    air_pressure

    array(100000.)

  • longitude
    ()
    float64
    ...

    unit :

    degree_east

    standard_name :

    longitude

    array(0.)

  • latitude
    ()
    float64
    ...

    unit :

    degree_north

    standard_name :

    latitude

    array(0.)

  • altitude
    ()
    float64
    ...

    unit :

    m

    standard_name :

    altitude

    array(0.)

  • start_time_of_day
    ()
    float64
    ...

    unit :

    s

    description :

    time-of-day of simulation start in seconds since midnight

    array(21600.)

  • start_day_of_year
    ()
    int32
    ...

    description :

    day-of-year number of simulation start

    array(200, dtype=int32)

  • elapsed_time
    ()
    float64
    ...

    unit :

    s

    description :

    elapsed time since simulation start

    array(3600.)

  • solar_zenith_angle
    ()
    float64
    ...

    unit :

    radian

    description :

    current angle from the zenith to the sun

    array(1.323917)

  • height
    ()
    float64
    ...

    unit :

    m

    long_name :

    boundary layer mixing height

    array(228.21)

  • gas_mosaic_index
    (gas_species)
    int32
    ...

    long_name :

    MOSAIC indices of gas species

    array([ 1,  2,  3,  4,  5,  6,  7,  8,  9, 10, 11, 12, 13, 14, 15, 16, 17, 18,
           19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36,
           37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54,
           55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72,
           73, 74, 75, 76, 77], dtype=int32)

  • gas_mixing_ratio
    (gas_species)
    float64
    ...

    unit :

    ppb

    long_name :

    mixing ratios of gas species

    array([8.589411e-04, 9.454864e-01, 6.188475e-01, 1.696557e+00, 1.659636e+00,
           1.011536e+01, 2.375551e-04, 3.389545e-03, 2.140013e-02, 1.827607e-02,
           4.306937e+01, 2.575774e-14, 4.500819e-07, 7.567005e-05, 2.295153e-03,
           1.096791e+00, 3.543114e+02, 1.581917e+00, 2.199947e+03, 9.989765e-01,
           3.492794e-04, 3.549818e-05, 2.465935e+00, 1.785738e-01, 9.804946e-01,
           4.841767e-01, 1.587018e-04, 2.035936e+00, 9.694700e-03, 2.634675e-01,
           8.830146e-05, 9.203786e-01, 1.663541e-04, 9.754756e-05, 4.495862e-04,
           1.162662e-03, 0.000000e+00, 0.000000e+00, 0.000000e+00, 0.000000e+00,
           3.233079e+01, 1.280233e+00, 9.113649e-02, 3.506162e+00, 1.005510e+00,
           5.813359e-01, 1.213052e+00, 1.047937e+00, 5.581227e-03, 1.015587e-04,
           2.548172e-07, 4.982652e-02, 1.605063e-01, 3.174937e-02, 3.789359e-04,
           9.884110e-05, 5.628031e-05, 1.491065e-03, 8.436814e-05, 3.323193e-01,
           1.619341e-01, 3.966537e-04, 7.659858e-06, 3.020076e-05, 0.000000e+00,
           0.000000e+00, 0.000000e+00, 0.000000e+00, 0.000000e+00, 0.000000e+00,
           0.000000e+00, 0.000000e+00, 0.000000e+00, 0.000000e+00, 0.000000e+00,
           0.000000e+00, 0.000000e+00])

  • aero_mosaic_index
    (aero_species)
    int32
    ...

    long_name :

    MOSAIC indices of aerosol species

    array([ 1,  2,  3,  4,  5,  6,  7,  8,  9, 10, 11, 12, 13, 14, 15, 16, 17, 18,
           19,  0], dtype=int32)

  • aero_density
    (aero_species)
    float64
    ...

    unit :

    kg/m^3

    long_name :

    densities of aerosol species

    array([1800., 1800., 2200., 1800., 1800., 1400., 1400., 1400., 1400., 1400.,
           1400., 1400., 1400., 2600., 2200., 2600., 2600., 1000., 1800., 1000.])

  • aero_num_ions
    (aero_species)
    int32
    ...

    long_name :

    number of ions after dissociation of aerosol species

    array([0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], dtype=int32)

  • aero_molec_weight
    (aero_species)
    float64
    ...

    unit :

    kg/mol

    long_name :

    molecular weights of aerosol species

    array([0.096 , 0.062 , 0.0355, 0.018 , 0.095 , 0.15  , 0.15  , 0.14  , 0.14  ,
           0.184 , 0.184 , 0.2   , 0.2   , 0.06  , 0.023 , 0.04  , 0.001 , 0.001 ,
           0.001 , 0.018 ])

  • aero_kappa
    (aero_species)
    float64
    ...

    unit :

    1

    long_name :

    hygroscopicity parameters (kappas) of aerosol species

    array([0.65 , 0.65 , 0.53 , 0.65 , 0.53 , 0.1  , 0.1  , 0.1  , 0.1  , 0.1  ,
           0.1  , 0.1  , 0.1  , 0.53 , 0.53 , 0.53 , 0.1  , 0.001, 0.   , 0.   ])

  • fractal_dimension
    ()
    float64
    ...

    unit :

    1

    description :

    particle volume fractal dimension

    array(3.)

  • fractal_prime_radius
    ()
    float64
    ...

    unit :

    m

    description :

    radius of primary particles

    array(1.e-08)

  • fractal_vol_fill_factor
    ()
    float64
    ...

    unit :

    1

    description :

    volume filling factor

    array(1.)

  • weight_type
    (aero_weight_class, aero_weight_group)
    int32
    ...

    description :

    type of each aerosol weighting function: 0 = invalid, 1 = none (w(D) = 1), 2 = power (w(D) = (D/D_0)^alpha), 3 = MFA (mass flow) (w(D) = (D/D_0)^(-3))

    array([[1, 2],
           [1, 2],
           [1, 2],
           [1, 2],
           [1, 2],
           [1, 2],
           [1, 2],
           [1, 2]], dtype=int32)

  • weight_magnitude
    (aero_weight_class, aero_weight_group)
    float64
    ...

    unit :

    m^{-3}

    description :

    magnitude for each weighting function

    array([[5.076519e+07, 7.050473e-15],
           [4.600596e+07, 6.279492e-14],
           [6.849066e+02, 3.717153e-16],
           [1.913524e+06, 1.015869e-15],
           [3.013610e+07, 4.577667e-15],
           [6.785797e+06, 1.215339e-15],
           [8.220958e+06, 2.179156e-15],
           [8.134143e+06, 9.989978e-15]])

  • weight_exponent
    (aero_weight_class, aero_weight_group)
    float64
    ...

    unit :

    1

    description :

    exponent alpha for the power weight_type, set to -3 for MFA, and zero otherwise

    array([[ 0., -3.],
           [ 0., -3.],
           [ 0., -3.],
           [ 0., -3.],
           [ 0., -3.],
           [ 0., -3.],
           [ 0., -3.],
           [ 0., -3.]])

  • aero_particle_mass
    (aero_species, aero_particle)
    float64
    ...

    unit :

    kg

    long_name :

    constituent masses of each aerosol particle

    array([[5.898664e-22, 5.249625e-21, 9.076294e-21, ..., 9.855446e-24,
            2.711403e-21, 1.353820e-19],
           [1.143650e-22, 1.171292e-21, 2.078100e-21, ..., 0.000000e+00,
            0.000000e+00, 0.000000e+00],
           [1.487301e-23, 1.505076e-22, 2.674306e-22, ..., 0.000000e+00,
            0.000000e+00, 0.000000e+00],
           ...,
           [7.540971e-22, 6.963197e-21, 1.211034e-20, ..., 2.478448e-20,
            3.725214e-21, 1.861104e-19],
           [0.000000e+00, 0.000000e+00, 0.000000e+00, ..., 5.783045e-20,
            0.000000e+00, 0.000000e+00],
           [1.308602e-21, 1.238477e-20, 2.167564e-20, ..., 0.000000e+00,
            0.000000e+00, 0.000000e+00]])

  • aero_n_orig_part
    (aero_source, aero_particle)
    int32
    ...

    long_name :

    number of original constituent particles from each source that coagulated to form each aerosol particle

    array([[1, 1, 1, ..., 0, 0, 0],
           [0, 0, 0, ..., 0, 0, 0],
           [0, 0, 0, ..., 0, 0, 0],
           ...,
           [0, 0, 0, ..., 0, 0, 0],
           [0, 0, 0, ..., 0, 1, 0],
           [0, 0, 0, ..., 0, 0, 1]], dtype=int32)

  • aero_particle_weight_group
    (aero_particle)
    int32
    ...

    long_name :

    weight group number of each aerosol particle

    array([1, 1, 1, ..., 1, 1, 1], dtype=int32)

  • aero_particle_weight_class
    (aero_particle)
    int32
    ...

    long_name :

    weight class number of each aerosol particle

    array([1, 1, 1, ..., 5, 7, 8], dtype=int32)

  • aero_water_hyst_leg
    (aero_particle)
    int32
    ...

    long_name :

    leg of the water hysteresis curve leg of each aerosol particle

    array([1, 1, 1, ..., 0, 0, 0], dtype=int32)

  • aero_num_conc
    (aero_particle)
    float64
    ...

    unit :

    m^{-3}

    long_name :

    number concentration for each particle

    array([50535191.668387, 48711221.511276, 47291263.147556, ..., 27660845.012925,
            8178235.622016,  7700676.221095])

  • aero_id
    (aero_particle)
    int32
    ...

    long_name :

    unique ID number of each aerosol particle

    array([   1,    2,    3, ..., 5874, 5880, 5881], dtype=int32)

  • aero_least_create_time
    (aero_particle)
    float64
    ...

    unit :

    s

    long_name :

    least creation time of each aerosol particle

    description :

    least (earliest) creation time of any original constituent particles that coagulated to form each particle, measured from the start of the simulation

    array([   0.,    0.,    0., ..., 3600., 3600., 3600.])

  • aero_greatest_create_time
    (aero_particle)
    float64
    ...

    unit :

    s

    long_name :

    greatest creation time of each aerosol particle

    description :

    greatest (latest) creation time of any original constituent particles that coagulated to form each particle, measured from the start of the simulation

    array([   0.,    0.,    0., ..., 3600., 3600., 3600.])

  • aero_absorb_cross_sect
    (aero_particle)
    float64
    ...

    unit :

    m^2

    long_name :

    optical absorption cross sections of each aerosol particle

    array([-8.178353e-29,  1.365806e-26, -6.636220e-27, ...,  3.512296e-16,
           -1.970211e-27, -7.532891e-25])

  • aero_scatter_cross_sect
    (aero_particle)
    float64
    ...

    unit :

    m^2

    long_name :

    optical scattering cross sections of each aerosol particle

    array([3.627116e-21, 3.048994e-19, 9.210540e-19, ..., 5.311271e-18,
           2.173407e-20, 5.438239e-17])

  • aero_asymmetry
    (aero_particle)
    float64
    ...

    unit :

    1

    long_name :

    optical asymmetry parameters of each aerosol particle

    array([0.001815, 0.008041, 0.01164 , ..., 0.012645, 0.003185, 0.042546])

  • aero_refract_shell_real
    (aero_particle)
    float64
    ...

    unit :

    1

    long_name :

    real part of the refractive indices of the shell of each aerosol particle

    array([1.418421, 1.413535, 1.412498, ..., 1.450434, 1.475379, 1.475105])

  • aero_refract_shell_imag
    (aero_particle)
    float64
    ...

    unit :

    1

    long_name :

    imaginary part of the refractive indices of the shell of each aerosol particle

    array([0., 0., 0., ..., 0., 0., 0.])

  • aero_refract_core_real
    (aero_particle)
    float64
    ...

    unit :

    1

    long_name :

    real part of the refractive indices of the core of each aerosol particle

    array([0.  , 0.  , 0.  , ..., 1.82, 0.  , 0.  ])

  • aero_refract_core_imag
    (aero_particle)
    float64
    ...

    unit :

    1

    long_name :

    imaginary part of the refractive indices of the core of each aerosol particle

    array([0.  , 0.  , 0.  , ..., 0.74, 0.  , 0.  ])

  • aero_core_vol
    (aero_particle)
    float64
    ...

    unit :

    m^3

    long_name :

    volume of the optical cores of each aerosol particle

    array([0.000000e+00, 0.000000e+00, 0.000000e+00, ..., 3.212795e-23,
           0.000000e+00, 0.000000e+00])

  • aero_removed_id
    (aero_removed)
    int32
    ...

    long_name :

    ID of removed particles

    array([ 134,  602,  715, ..., 5436, 5534, 5783], dtype=int32)

  • aero_removed_action
    (aero_removed)
    int32
    ...

    long_name :

    reason for particle removal

    description :

    valid is 0 (invalid entry), 1 (removed due to dilution), 2 (removed due to coagulation -- combined particle ID is in \c aero_removed_other_id), 3 (removed due to populating halving), or 4 (removed due to weighting changes

    array([1, 1, 1, ..., 1, 1, 4], dtype=int32)

  • aero_removed_other_id
    (aero_removed)
    int32
    ...

    long_name :

    ID of other particle involved in removal

    description :

    if <tt>aero_removed_action(i)</tt> is 2 (due to coagulation), then <tt>aero_removed_other_id(i)</tt> is the ID of the resulting combined particle, or 0 if the new particle was not created

    array([32767, 32767, 32767, ..., 32767, 32767,     0], dtype=int32)

• Attributes: (5)

  title :

  PartMC version 2.5.0 output file

  source :

  PartMC version 2.5.0

  UUID :

  A96876F0-F62E-45FB-AC47-2FB221548641

  history :

  2021-09-22T15:54:26.773-05:00 created by PartMC version 2.5.0

  Conventions :

  CF-1.4