PROTEUS spectral files
Note
The spectral files described here have been generated specifically for use within the PROTEUS framework, covering atmospheric compositions relevant to exoplanet and planetary science applications. They are distinct from the standard Met Office spectral files distributed with SOCRATES for Earth atmosphere modelling.
Overview
Each spectral file is identified by a codename and a band count; several codenames are available at multiple resolutions. All files are in the standard SOCRATES spectral file format.
Spectroscopic data sources are abbreviated as follows: * HITRAN – HITRAN linelist * EXOMOL — ExoMol linelist * DACE — DACE opacity database, from ExoMol. * ExoCross - From opacities calculated using ExoCross, from multiple linelists.
Spectral file summary table
The following table contains information about spectral files that can be downloaded through Zenodo (https://zenodo.org/communities/proteus_framework/records?q=&f=subject%3Aspectral_files&l=list&p=1&s=10&sort=newest).
| Codename | Bands | Absorbers | Continua | UV | Tolerance | Sources | NaN-clean | SOCRATES | Date | Platform | Creator | Notes |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Legacy | 318 | H2O, CO2, O3, N2O, CO, CH4, O2, NO, SO2, NO2, NH3, HNO3, N2, H2, He, OCS | CO2, CH4, O2, N2, H2, He | No | 1.00E-02 | HITRAN | TRUE | 2002 | 2021 | Linux Intel | Tim Lichtenberg | Legacy spectral file used in Lichtenberg+2021 |
| Oak | 318 | H2O | H2O | No | 1.00E-02 | HITRAN | TRUE | 2306 | 2023-07-10 | Linux Intel | Harrison Nicholls | Water-only spectral file from HITRAN. To be used for benchmarking. |
| Idwal | 318 | H2O | H2O | No | 1.00E-02 | HITRAN | FALSE | 2211 | 2023-07-11 | Linux Intel | Harrison Nicholls | Made redundant by Oak. They only differ by SOCRATES version. |
| Balmora | 318 | H2O | H2O | No | 1.00E-02 | HITRAN | FALSE | 2306 | 2023-07-19 | Mac ARM | Tim Lichtenberg | Made redundant by Oak. They only differ by creation platform. |
| Triangle | 318 | H2O, H2, CO2 | H2O, H2, CO2 | No | 1.00E-02 | HITRAN | TRUE | 2306 | 2023-07-11 | Linux Intel | Harrison Nicholls | Test |
| Mallard | 318 | H2O, H2, CO2, CO, CH4, O2, N2, He | H2O, CO2, CH4, O2, N2, H2, He | No | 1.00E-02 | HITRAN | TRUE | 2306 | 2023-07-13 | Linux Intel | Harrison Nicholls | HITRAN file with useful opacities |
| Reach | 318 | H2O, CO2, O3, N2O, CO, CH4, O2, NO, SO2, NO2, NH3, HNO3, N2, H2, He, OCS | H2O, CO2, CH4, O2, N2, H2, He | No | 1.00E-02 | HITRAN | TRUE | 2306 | 2023-07-19 | Linux Intel | Harrison Nicholls | Same as above but with more opacities |
| Vivec | 318 | H2O, CO2, O3, N2O, CO, CH4, O2, NO, SO2, NO2, NH3, HNO3, N2, H2, He, OCS | H2O, CO2, CH4, O2, N2, H2, He | No | 1.00E-02 | HITRAN | FALSE | 2306 | 2023-07-25 | Mac Intel | Tim Lichtenberg | Same as above, but compiled on MacOS |
| Alduin | 318 | H2O | H2O | No | 1.00E-02 | EXOMOL | TRUE | 2306 | Linux Intel | Ryan Boukrouche | Script exists to generate this file, but it is not currently available | |
| Kynesgrove | 318 | O2 | O2-O2 | No | 5.00E-04 | DACE | TRUE | 2403 | 2024-03-14 | Linux Intel | Harrison Nicholls | Created for validation of DACE xsec data against SOCRATES' own LbL calculations used in Mallard. |
| Frostflow | 4096 | H2O | H2O | No | 5.00E-03 | DACE | TRUE | 2403 | 2024-03-20 | Linux Intel | Harrison Nicholls | Very high resolution. Intended for benchmarking. |
| Frostflow | 256 | ^ | ^ | ^ | ^ | ^ | ^ | ^ | ^ | ^ | ^ | High resolution. |
| Frostflow | 48 | ^ | ^ | ^ | ^ | ^ | ^ | ^ | ^ | ^ | ^ | Medium resolution. |
| Frostflow | 16 | ^ | ^ | ^ | ^ | ^ | ^ | ^ | ^ | ^ | ^ | Low resolution. Intended for debugging. |
| Dayspring | 4096 | H2O, H2, CO2, CO, CH4, N2 | H2O-H2O, H2-CH4, H2-H2, N2-H2, N2-N2, N2-H2O, CO2-CO2, CO2-H2, CO2-CH4 | No | 1.00E-02 | DACE | TRUE | 2403 | 2024-04-30 | Linux Intel | Harrison Nicholls | Very high resolution. Intended for benchmarking. |
| Dayspring | 256 | ^ | ^ | ^ | ^ | ^ | ^ | ^ | ^ | ^ | ^ | High resolution. |
| Dayspring | 48 | ^ | ^ | ^ | ^ | ^ | ^ | ^ | ^ | ^ | ^ | Medium resolution. |
| Dayspring | 16 | ^ | ^ | ^ | ^ | ^ | ^ | ^ | ^ | ^ | ^ | Low resolution. Intended for debugging. |
| Honeyside | 4096 | H2O, H2, CO2, CO, CH4, N2, NH3, SO2, N2O, O3, HCN, H2S | H2O-H2O, H2-CH4, H2-H2, H2-N2, N2-N2, N2-H2O, CO2-CO2, CO2-H2, CO2-CH4 | No | 1.00E-02 | DACE | TRUE | 2403 | 2024-07-07 | Linux Intel | Harrison Nicholls | Very high resolution. Intended for benchmarking. |
| Honeyside | 256 | ^ | ^ | ^ | ^ | ^ | ^ | ^ | ^ | ^ | ^ | High resolution. |
| Honeyside | 48 | ^ | ^ | ^ | ^ | ^ | ^ | ^ | ^ | ^ | ^ | Medium resolution. |
| Honeyside | 16 | ^ | ^ | ^ | ^ | ^ | ^ | ^ | ^ | ^ | ^ | Low resolution. Intended for debugging. |
| Rocks | 256 | O2, SiO, SiO2 | O2-O2 | No | ? | DACE | TRUE | 2407.2 | 2025-05-15 | Linux Intel | Alex McGinty | High resolution file used for comparison with JWST observations of rock-vapour atmospheres. |
| Rocks | 128 | H2, H2O, O2, SiO, SiO2 | H2O-H2O, H2-H2, O2-O2 | ^ | ? | ^ | ^ | ^ | ^ | ^ | Alex McGinty | Rock vapours and key volatiles. |
| Rocks | 64 | H2, H2O, O2, SiO, SiO2 | H2O-H2O, H2-H2, O2-O2 | ^ | ? | ^ | ^ | ^ | ^ | ^ | Alex McGinty | Rock vapours and key volatiles (low resolution). |
| Winterfell | 4096 | H2O, H2, CO2, CO, CH4, N2, NH3, SO2, N2O, O3, HCN, H2S, O2 | H2O-H2O, H2-CH4, H2-H2, H2-N2, N2-N2, N2-H2O, CO2-CO2, CO2-H2, CO2-CH4 | CO2, H2O, H2S, N2, N2O, NH3, O3, SO2 | ? | DACE, MPI | TRUE | 2407.2 | 2026-01-12 | Linux Intel | Bruna Fena | Honeyside but with UV included for some molecules. Very high-resolution. |
| Winterfell | 256 | H2O, H2, CO2, CO, CH4, N2, NH3, SO2, N2O, O3, HCN, H2S, O2 | ^ | ^ | ? | ^ | ^ | ^ | ^ | ^ | ^ | High resolution. |
| Winterfell | 48 | H2O, H2, CO2, CO, CH4, N2, NH3, SO2, N2O, O3, HCN, H2S, O2 | ^ | ^ | ? | ^ | ^ | ^ | ^ | ^ | ^ | Medium resolution. |
| Winterfell | 16 | H2O, H2, CO2, CO, CH4, N2, NH3, SO2, N2O, O3, HCN, H2S, O2 | ^ | ^ | ? | ^ | ^ | ^ | ^ | ^ | ^ | Low-resolution. |
| Dragonstone | 4096 | H2O, H2, CO2, CO, CH4, N2, NH3, SO2, N2O, O3, HCN, H2S | H2O-H2O, H2-CH4, H2-H2, H2-N2, N2-N2, N2-H2O, CO2-CO2, CO2-H2, CO2-CH4 | CO2, H2O, H2S, N2, N2O, NH3, O3, SO2 | ? | DACE, MPI | TRUE | 2407.2 | 2026-01-12 | Linux Intel | Bruna Fena | Same as Lighthouse but no O2 included. Very high-resolution. |
| Dragonstone | 256 | H2O, H2, CO2, CO, CH4, N2, NH3, SO2, N2O, O3, HCN, H2S | ^ | ^ | ? | ^ | ^ | ^ | ^ | ^ | ^ | High resolution. |
| Dragonstone | 48 | H2O, H2, CO2, CO, CH4, N2, NH3, SO2, N2O, O3, HCN, H2S | ^ | ^ | ? | ^ | ^ | ^ | ^ | ^ | ^ | Medium resolution. |
| Dragonstone | 16 | H2O, H2, CO2, CO, CH4, N2, NH3, SO2, N2O, O3, HCN, H2S | ^ | ^ | ? | ^ | ^ | ^ | ^ | ^ | ^ | Low-resolution. |
| Sunspear | 4096 | H2O, H2, CO2, CO, CH4, N2, NH3, SO2, N2O, O3, HCN, H2S, O2 | H2O-H2O, H2-CH4, H2-H2, H2-N2, N2-N2, N2-H2O, CO2-CO2, CO2-H2, CO2-CH4 | CO2, SO2, H2S | ? | DACE, MPI | TRUE | 2407.2 | 2026-01-12 | Linux Intel | Bruna Fena | To simulate Ranjan and Sasselov (2016), only CO2, SO2 and H2S have UV values. Very high-resolution. |
| Sunspear | 256 | H2O, H2, CO2, CO, CH4, N2, NH3, SO2, N2O, O3, HCN, H2S, O2 | ^ | ^ | ? | ^ | ^ | ^ | ^ | ^ | ^ | High resolution. |
| Sunspear | 48 | H2O, H2, CO2, CO, CH4, N2, NH3, SO2, N2O, O3, HCN, H2S, O2 | ^ | ^ | ? | ^ | ^ | ^ | ^ | ^ | ^ | Medium resolution. |
| Sunspear | 16 | H2O, H2, CO2, CO, CH4, N2, NH3, SO2, N2O, O3, HCN, H2S, O2 | ^ | ^ | ? | ^ | ^ | ^ | ^ | ^ | ^ | Low-resolution. |
The files for the UV were taken from the MPI-Mainz UV/VIS Spectral Atlas: * CO2: Archer et al. (2013); Cook et al. (1966); Kuo et al. (2004); Gallagher et al. (1988); Shaw et al. (1995); Shemansky (1972); Venot, O. et al. (2018). * H2O: Gürtler et al. (1977); J.B. Burkholder; S.P. Sander; J. Abbatt; J.R. Barker; R.E. Huie; C.E. Kolb; M.J. Kurylo; V.L. Orkin and Wine (2015); Ranjan et al. (2020). * H2S: Feng et al. (1999); Grosch et al. (2015); Wu and Chen (1998). * N2: Souza and Srivastava (1994). * N2O: Johnston and Graham (1974). * NH3: Burton et al. (1993); Limão-Vieira et al. (2019). * O3: Mason et al. (1996); Molina and Molina (1986); Serdyuchenko et al. (2014). * SO2: Golomb et al. (1962); Olive (2015).
Choosing a spectral file
The appropriate spectral file depends on the atmospheric composition being modelled and the required spectral resolution:
- For benchmarking or comparison with observations, use a high- or very-high-resolution configuration (256–4096 bands).
- For debugging, use a low resolution spectral file with 16 bands.
- For water-dominated atmospheres, Frostflow or Oak are appropriate depending on the required resolution and data source.
- For mixed volatile atmospheres (H\(_2\)O, CO\(_2\), CH\(_4\), H\(_2\), N\(_2\) and more), Honeyside is the most complete option.
- For rock-vapour atmospheres (relevant to magma ocean planets), use the Rocks files which include SiO and SiO\(_2\) opacity.