solarchemist / uvvistauc

R package to calculate optical band gap of semiconductors from UV-Vis spectra using the Tauc method
GNU General Public License v3.0
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Suggestion: implement more automated fitting algorithm #3

Open solarchemist opened 1 year ago

solarchemist commented 1 year ago

From a discussion with a valued colleague, who raised the prospect of using different approach to the "band edge detection" part of the algorithm.

Instead of having the user specify bg.limits, could we implement a function that finds the linear fit that a) maximises the fitted number of points, while b) maximising some goodness-of-fit measure (the latter remains to be defined). I think such an approach, if implemented naively, would result in a large computation penalty.

The major upside is the elimination of two (possibly four) of the six input parameters.