Table 5.

Predicted molecular detection significances from JWST.

ModelEvidenceBest-fitBayesSignificance
|$\mathrm{ln}\left(\mathcal {Z}_{i}\right)$||$\chi _{r, \mathrm{min}}^{2}$|Factor |$\mathcal {B}_{0i}$|of Ref.
Full Chem5371.01.04Ref.Ref.
No H2 + He5041.02.012 × 1014325.8σ
No H2O4957.32.175 × 1017928.9σ
No CH45353.71.093.5 × 1076.2σ
No NH35371.21.030.80N/A
No CO5365.71.051983.7σ
No CO25287.41.272 × 103613.1σ
No AlO5371.81.030.40N/A
No TiH5338.71.131 × 10148.3σ
No CrH5341.01.131 × 10138.0σ
No ScH5360.11.066 × 1045.1σ
No M-Hydrides5280.21.263 × 103913.7σ
ModelEvidenceBest-fitBayesSignificance
|$\mathrm{ln}\left(\mathcal {Z}_{i}\right)$||$\chi _{r, \mathrm{min}}^{2}$|Factor |$\mathcal {B}_{0i}$|of Ref.
Full Chem5371.01.04Ref.Ref.
No H2 + He5041.02.012 × 1014325.8σ
No H2O4957.32.175 × 1017928.9σ
No CH45353.71.093.5 × 1076.2σ
No NH35371.21.030.80N/A
No CO5365.71.051983.7σ
No CO25287.41.272 × 103613.1σ
No AlO5371.81.030.40N/A
No TiH5338.71.131 × 10148.3σ
No CrH5341.01.131 × 10138.0σ
No ScH5360.11.066 × 1045.1σ
No M-Hydrides5280.21.263 × 103913.7σ

Notes. The ‘Full Chem’ reference model includes chemical opacity due to H2, He, H2O, CH4, NH3, CO, CO2, AlO, TiH, CrH, and ScH. The ‘No M-Hydrides’ model has TiH, CrH, and ScH removed. The number of degrees of freedom (d.o.f), given by NdataNparams, is 694 for the reference model (Ndata  = 714). |$\chi _{r, \, \mathrm{min}}^{2}$| is the minimum reduced chi-square (χ2/d.o.f). The significance indicates the degree of preference for the reference model, highlighted in bold, over each alternative model. N/A indicates no (or negative) evidence (⁠|$\mathcal {B}_{\mathrm{ij}} \lesssim 1$|⁠) supporting a given molecule.

Table 5.

Predicted molecular detection significances from JWST.

ModelEvidenceBest-fitBayesSignificance
|$\mathrm{ln}\left(\mathcal {Z}_{i}\right)$||$\chi _{r, \mathrm{min}}^{2}$|Factor |$\mathcal {B}_{0i}$|of Ref.
Full Chem5371.01.04Ref.Ref.
No H2 + He5041.02.012 × 1014325.8σ
No H2O4957.32.175 × 1017928.9σ
No CH45353.71.093.5 × 1076.2σ
No NH35371.21.030.80N/A
No CO5365.71.051983.7σ
No CO25287.41.272 × 103613.1σ
No AlO5371.81.030.40N/A
No TiH5338.71.131 × 10148.3σ
No CrH5341.01.131 × 10138.0σ
No ScH5360.11.066 × 1045.1σ
No M-Hydrides5280.21.263 × 103913.7σ
ModelEvidenceBest-fitBayesSignificance
|$\mathrm{ln}\left(\mathcal {Z}_{i}\right)$||$\chi _{r, \mathrm{min}}^{2}$|Factor |$\mathcal {B}_{0i}$|of Ref.
Full Chem5371.01.04Ref.Ref.
No H2 + He5041.02.012 × 1014325.8σ
No H2O4957.32.175 × 1017928.9σ
No CH45353.71.093.5 × 1076.2σ
No NH35371.21.030.80N/A
No CO5365.71.051983.7σ
No CO25287.41.272 × 103613.1σ
No AlO5371.81.030.40N/A
No TiH5338.71.131 × 10148.3σ
No CrH5341.01.131 × 10138.0σ
No ScH5360.11.066 × 1045.1σ
No M-Hydrides5280.21.263 × 103913.7σ

Notes. The ‘Full Chem’ reference model includes chemical opacity due to H2, He, H2O, CH4, NH3, CO, CO2, AlO, TiH, CrH, and ScH. The ‘No M-Hydrides’ model has TiH, CrH, and ScH removed. The number of degrees of freedom (d.o.f), given by NdataNparams, is 694 for the reference model (Ndata  = 714). |$\chi _{r, \, \mathrm{min}}^{2}$| is the minimum reduced chi-square (χ2/d.o.f). The significance indicates the degree of preference for the reference model, highlighted in bold, over each alternative model. N/A indicates no (or negative) evidence (⁠|$\mathcal {B}_{\mathrm{ij}} \lesssim 1$|⁠) supporting a given molecule.

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