Calculate a spectrum from ExoMol

Auto-download and compute a SiO spectrum from the ExoMol database ([ExoMol-2020])

plot exomol spectrum

Out:

Using ExoMol database EBJT for 28Si-16O (recommended by the ExoMol team). All available databases are ['Kurucz-SiO', 'xsec-Kurucz-SiO', 'EBJT']. Select one of them with `radis.fetch_exomol(DATABASE_NAME)`, `SpectrumFactory.fetch_databank('exomol', exomol_database=DATABASE_NAME')`, or `calc_spectrum(..., databank=('exomol', DATABASE_NAME))`

Background atmosphere:  H2
Downloading http://www.exomol.com/db/SiO/28Si-16O/EBJT/28Si-16O__EBJT.def
Downloading http://www.exomol.com/db/SiO/28Si-16O/EBJT/28Si-16O__EBJT.pf
Downloading http://www.exomol.com/db/SiO/28Si-16O/EBJT/28Si-16O__EBJT.states.bz2
Downloading http://www.exomol.com/db/SiO/28Si-16O/28Si-16O__H2.broad
Error: Couldn't download .broad file and save.
Downloading http://www.exomol.com/db/SiO/28Si-16O/28Si-16O__He.broad
Error: Couldn't download .broad file and save.
Downloading http://www.exomol.com/db/SiO/28Si-16O/28Si-16O__air.broad
Error: Couldn't download .broad file and save.
Note: Couldn't find the feather format. We convert data to the feather format. After the second time, it will become much faster.
Reading transition file
Downloading http://www.exomol.com/db/SiO/28Si-16O/EBJT/28Si-16O__EBJT.trans.bz2
Note: Couldn't find the feather format. We convert data to the feather format. After the second time, it will become much faster.
.broad is used.
Warning: Cannot load .broad. The default broadening parameters are used.
.broad is used.
Warning: Cannot load .broad. The default broadening parameters are used.
Calculating Equilibrium Spectrum
Physical Conditions
----------------------------------------
   Tgas                 1000 K
   Trot                 1000 K
   Tvib                 1000 K
   isotope              1
   mole_fraction        0.1
   molecule             SiO
   overpopulation       None
   path_length          1 cm
   pressure_mbar        1013.25 mbar
   rot_distribution     boltzmann
   self_absorption      True
   state                X
   vib_distribution     boltzmann
   wavenum_max          1320.0000 cm-1
   wavenum_min          1080.0000 cm-1
Computation Parameters
----------------------------------------
   Tref                 296 K
   add_at_used          None
   broadening_method    fft
   cutoff               1e-27 cm-1/(#.cm-2)
   dbformat             exomol-radisdb
   dbpath               /home/docs/.radisdb/exomol/SiO/28Si-16O/EBJT
   dlm_log_pG           0.1375350788016573
   dlm_log_pL           0.20180288881201608
   export_rovib_fraction  True
   folding_thresh       1e-06
   hdf5_engine          pytables
   include_neighbouring_lines  True
   levelsfmt            None
   neighbour_lines      0 cm-1
   optimization         min-RMS
   parfuncfmt           exomol
   parfuncpath          None
   parsum_mode          full summation
   pseudo_continuum_threshold  0
   truncation           None cm-1
   wavenum_max_calc     1320.0000 cm-1
   wavenum_min_calc     1080.0000 cm-1
   waveunit             cm-1
   wstep                0.01 cm-1
   zero_padding         -1
Information
----------------------------------------
   chunksize            None
   db_use_cached        True
   export_lines         False
   export_populations   None
   load_energies        False
   lvl_use_cached       True
   total_lines          19842
   warning_broadening_threshold  0.01
   warning_linestrength_cutoff  0.01
----------------------------------------
/home/docs/checkouts/readthedocs.org/user_builds/radis/envs/latest/lib/python3.8/site-packages/radis/misc/warning.py:350: MissingPressureShiftWarning:

Pressure-shift coefficient not given in database: assumed 0 pressure shift

/home/docs/checkouts/readthedocs.org/user_builds/radis/envs/latest/lib/python3.8/site-packages/radis/misc/warning.py:350: MissingSelfBroadeningWarning:

Self-broadening reference width `selbrd` not given in database: used air broadening reference width `airbrd` instead

0.06s - Spectrum calculated

<matplotlib.lines.Line2D object at 0x7f822df56b50>

from radis import calc_spectrum

s = calc_spectrum(
    1080,
    1320,  # cm-1
    molecule="SiO",
    isotope="1",
    pressure=1.01325,  # bar
    Tgas=1000,  # K
    mole_fraction=0.1,
    path_length=1,  # cm
    broadening_method="fft",  # @ dev: Doesn't work with 'voigt'
    databank="exomol",  # uses the recommended database. Use ('exomol', "EBJT") for a specific database ("EBJT")
)
s.apply_slit(1, "cm-1")  # simulate an experimental slit
s.plot("radiance")

Total running time of the script: ( 0 minutes 8.771 seconds)

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