The present disclosure relates to a computer-implemented method for forecasting calibration spectra including a step of providing a machine learning model trained using historical calibration data corresponding to different gas species at different pressures. The computer-implemented method also includes steps of performing a calibration scan of one gas species at one pressure using an analyzer and generating calibration curves for the analyzer corresponding to one or multiple gas species at multiple pressures using the machine learning model and the calibration scan. Thereafter, a spectrum is obtained using the analyzer, and a concentration measurement is generated using the spectrum and at least one of the calibration curves.