Vol. 17, issue 11, article # 3

Tashkun S. A. Usage of robust methods to estimate spectroscopic parameters of vibrational bands of linear molecules from the experimental data. // Atmospheric and oceanic optics. 2004. V. 17. No. 11. P. 783-785.    PDF
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Abstract:

To obtain fitted spectroscopic parameters of vibrational bands of linear molecules, it is suggested to use the least median method instead of the widely used least squares method. The former is known to be robust with respect to presence of outliers in data and provides statistically justified estimates. On the contrary, the latter has zero resistance against outliers that may lead to distorted estimates and deficient models. Importance and usefulness of the least median method is illustrated with an example of deriving fitted spectroscopic parameters of the 40002-01101 band of the 12C16O2 molecule.