Resolution of multicomponent mixture spectra in mid-infrared spectroscopy using spherical projection factor analysis: Application to real data including a six-component mixture set

被引:2
作者
Gurden, SP
Brereton, RG
Groves, JA
机构
[1] UNIV BRISTOL,SCH CHEM,BRISTOL BS8 1TS,AVON,ENGLAND
[2] HLTH & SAFETY LAB,HLTH & SAFETY EXECUT,SHEFFIELD S3 7HQ,S YORKSHIRE,ENGLAND
关键词
self-modelling curve resolution; mid-infrared spectroscopy; mixture analysis;
D O I
10.1039/an9962100441
中图分类号
O65 [分析化学];
学科分类号
070302 ; 081704 ;
摘要
Spherical projection factor analysis is a self-modelling curve resolution method used for the deconvolution of a set of mixture spectra into the pure component spectral and concentration profiles. A modification of the previously proposed method is described, consisting of four steps, namely principal components analysis, spherical projection including wavenumber weighting, location of composition one points and regression of composition one points, The method was applied to real and simulated mixture sets, including one which contained six components.
引用
收藏
页码:441 / 450
页数:10
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