caa a22 4500 469129042 CHVBK 20180323133159.0 cr unu---uuuuu 170328e19920401xx s 000 0 eng 10.1007/BF00322706 doi (NATIONALLICENCE)springer-10.1007/BF00322706 Infrared spectroscopic analysis of complex mixtures by classification and regression — Characterization of urinary calculi [Elektronische Daten] [Hartmut Hobert, Kathrin Meyer] Summary: Using urinary calculi as an example for a complex but closed substance system, an automated evaluation method for infrared spectra was developed. Robust classes were defined by principal component analysis and hierarchical clustering and then represented by the score vectors of the groups. Unknown samples were localized in the space of the group eigenspectra and the main constituents were determined using the correlation coefficients from the group spectra. A multiple linear regression gives estimates of the number and concentration of the constituents. Springer-Verlag, 1992 Hobert Hartmut Institute of Physical Chemistry, Friedrich-Schiller University Jena, O-6900, Jena, Federal Republic of Germany aut Meyer Kathrin Institute of Physical Chemistry, Friedrich-Schiller University Jena, O-6900, Jena, Federal Republic of Germany aut Fresenius' Journal of Analytical Chemistry Springer-Verlag 344/4-5(1992-04-01), 178-185 0937-0633 344:4-5<178 1992 344 216 https://doi.org/10.1007/BF00322706 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/BF00322706 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Hobert Hartmut Institute of Physical Chemistry, Friedrich-Schiller University Jena, O-6900, Jena, Federal Republic of Germany aut NATIONALLICENCE 700 1- Meyer Kathrin Institute of Physical Chemistry, Friedrich-Schiller University Jena, O-6900, Jena, Federal Republic of Germany aut NATIONALLICENCE 773 0- Fresenius' Journal of Analytical Chemistry Springer-Verlag 344/4-5(1992-04-01), 178-185 0937-0633 344:4-5<178 1992 344 216 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer