BSEL / Washington State University
Bell et al. (2022) spectral matching applied to Air Company SAF samples
Cross-sample compound matching using 7 residual statistics (Bell et al. 2022, Anal. Chem. 94, 14861)
For each compound identified by APR in two samples, the VUV spectrum (125-443 nm, 646 channels) is extracted and compared using weighted least-squares scaling. The noise-adjusted residuals are tested against 7 statistics: R² (overlay), mean(ε), σactive/σinactive, skewness, kurtosis, R²QQ, and maximum consecutive same-sign run. For a true match, residuals should be indistinguishable from instrument noise.