CPC G01N 30/74 (2013.01) [B01D 53/025 (2013.01); B01D 53/30 (2013.01); G01N 21/31 (2013.01); G01N 30/8624 (2013.01); G01N 30/8631 (2013.01); G01N 30/8668 (2013.01); G01N 30/8686 (2013.01); G01N 30/72 (2013.01); G01N 2021/3196 (2013.01); G01N 2030/025 (2013.01); G01N 2030/743 (2013.01)] | 11 Claims |
1. A method for analyzing sample spectra of a sample from a spectrometric system, the method comprising:
obtaining the sample infrared spectra of compounds eluting from a separator with the spectrometric system that gathers the sample infrared spectra by flowing the compounds into a gas cell;
shifting entire retention windows to find a rough approximation of the retention windows and then separately shifting lower bounds of the retention windows and shifting upper bounds to fine tune the retention windows;
comparing the sample infrared spectra from the shifted retention windows to optical reference spectra for compounds of interest in the sample by regressing the optical reference spectra over the sample infrared spectra of the shifted retention windows and rating fit; and
updating the retention windows used to analyze the sample with the shifted retention windows with the best fit.
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