Extensions to peak alignment using reduced set mapping:: classification of LC/UV data from peptide mapping

被引：10

作者：

Åberg, KM

Torgrip, RJO

Jacobsson, SP ^{[1
]}

机构：

[1] AstraZeneca R&D, Anal Dev, Pharmaceut & Anal R&D, SE-15185 Sodertalje, Sweden

[2] AstraZeneca R&D, Safety Assessment, SE-15185 Sodertalje, Sweden

[3] Stockholm Univ, Dept Anal Chem, SE-10691 Stockholm, Sweden

来源：

JOURNAL OF CHEMOMETRICS | 2004年 / 18卷 / 10期

关键词：

peak shift; peak alignment; peptide mapping; classification; PARS; chromatography;

D O I：

10.1002/cem.892

中图分类号：

TP [自动化技术、计算机技术];

学科分类号：

0812 ;

摘要：

Peak alignment using reduced set mapping (PARS) is extended with a new baseline approximation and a new dendrogram alignment scheme, which is designed to avoid the issue of selecting a target chromatogram for the alignment. Two data sets with LC/UV data are studied and it is shown that peak alignment with PARS increases the class separation substantially in the principal component score space. The results indicate that it is possible to use PARS for calibration transfer of multivariate models of chromatographic data. Copyright (C) 2005 John Wiley & Sons, Ltd.

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收藏

页码：465 / 473

页数：9

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