A simple python software was developed to calculate all the Q for ease of calculation, the original code is listed here, and the calculation is based on the explanation in ref Infrared spectroscopy in an ATR configuration was performed with a ThermoFischer Nicolet 380 FTIR-ATR system with a ZnSe ATR crystal coated with a diamond surface. Infrared spectra were collected at room temperature over the range of 400-4000 cm -1 . For ex-situ measurements, each spectrum was recorded with an accumulation of 800 scans with a resolution of 4 cm -1 .