Abstract
Different methods of data preprocessing were evaluated for the compression of Fourier transform-infrared spectral libraries by principal component analysis (PCA). The effect of noise on compressed library searches was examined. A PCA compression of an infrared library achieved an 81% reduction in size without any loss in search performance.
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References
1.
Warren
F. V.
and
Delaney
M. F.
, Appl. Spectrosc. 37 , 172 (1983 ).
2.
Lam
R. B.
Foulk
S. J.
, and
Isenhour
T. L.
, Anal. Chem. 53 , 1679 (1981 ).
3.
Hangac
G.
Wielboldt
R. C.
Lam
R. B.
, and
Isenhour
T. L.
, Appl. Spectrosc. 36 , 40 (1982 ).
4.
Rozett
R. W.
and
Petersen
E. M.
, Anal. Chem. 47 , 1301 (1975 ).
5.
Williams
S. S.
Lam
R. B.
, and
Isenhour
T. L.
, Anal. Chem. 55 , 1117 (1983 ).
6.
Malinowski
E. R.
and
Howery
D. G.
, Factor Analysis in Chemistry (Wiley-Interscience , New York , 1980 ).
7.
Gillette
P. G.
and
Koenig
J. L.
, Appl. Spectrosc. 36 , 535 (1982 ).
8.
Antoon
M. K.
D'Esposito
L.
, and
Koenig
J. L.
, Appl. Spectrosc. 33 , 351 (1979 ).
9.
Kaiser
H. F.
, Educ. Psych. Meas. 20 , 141 (1960 ).
10.
Grotch
S. L.
, Anal. Chem. 43 , 1362 (1971 ).
11.
Pouchert
C. J.
, The Aldrich Library of FT-IR Spectra (Aldrich Chemical Company , Milwaukee , 1985 ).
