COMPUTER-AIDED INTERPRETATION OF MASS-SPECTRA BY A COMBINATION OF LIBRARY SEARCH WITH PRINCIPAL COMPONENT ANALYSIS

被引：26

作者：

VARMUZA, K

WERTHER, W

HENNEBERG, D

WEIMANN, B

机构：

[1] Technical University Vienna, Institute for General Chemistry, Vienna, A-1060

[2] Max-Planck-Institute für Kohlenforschung, Ruhr, D-4330

来源：

RAPID COMMUNICATIONS IN MASS SPECTROMETRY | 1990年 / 4卷 / 05期

关键词：

D O I：

10.1002/rcm.1290040507

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

The mass spectral set comprising the “hitlist” of a library search for spectra similar to that of an unknown is investigated by exploratory data analysis. Principal‐component mapping is used to present the “hitlist” as a two‐dimensional plot which allows an interactive classification of the unknown and the recognition of erroneous library spectra. Copyright © 1990 Heyden & Son Limited

引用

页码：159 / 162

页数：4

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