Mixture analysis using reverse searching and non-negative least squares

摘要: Abstract The portable even handheld Raman spectrometer can provide adequate spectral resolution for material identification in situ. spectra are information rich but not easy to interpret, especially the of mixtures. ability identify components mixture is, therefore, considerable interest and challenge. In this study, a promising solution rapid was developed with assistance spectrometer, database chemometrics. raw materials commonly used pharmaceutical industry have been acquired under suitable situations inserted into database. Classic reverse searching procedure has modified according features spectrum based on automatic accurate peak detection wavelet spaces. match quality be calculated by counting negative ratio subtractive between (scaled minimal reversely matched peaks). On basis non-negative least square (RSearch-NNLS), practical method analysis proposed study. results show that RSearch is superior identifying compounds than correlation coefficient. employment further refine estimate ratios mixture. RSearch-NNLS may solving problem some applications.