STATISTICAL PREDICTION OF FILE SEARCHING RESULTS FOR VAPOR-PHASE INFRARED SPECTROMETRIC IDENTIFICATION OF GAS-CHROMATOGRAPHIC PEAKS

被引:17
作者
DELANEY, MF [1 ]
UDEN, PC [1 ]
机构
[1] UNIV MASSACHUSETTS,DEPT CHEM,AMHERST,MA 01003
关键词
D O I
10.1021/ac50044a031
中图分类号
O65 [分析化学];
学科分类号
070302 ; 081704 ;
摘要
The ability to predict the effectiveness of spectral file searching procedures for the identification of unknown compounds is demonstrated for vapor phase infrared spectrometry (VPIR) based on statistical considerations of the reference library. Matching criteria based on the Exclusive OR (XOR) function for binary spectra and least-squares for multilevel spectra are studied. This predictive ability will allow the rapid development of suitable search procedures for rapid, on-line identification of gas chromatographic eluates by VPIR. © 1979, American Chemical Society. All rights reserved.
引用
收藏
页码:1242 / 1249
页数:8
相关论文
共 18 条