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Rapid multivariate ...
Rapid multivariate analysis of LC/GC/CE data (single or multiple channel detection) without prior peak alignment
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- Danielsson, Rolf (author)
- Uppsala universitet,Avdelningen för analytisk kemi
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- Bäckström, Daniel (author)
- Uppsala universitet,Avdelningen för analytisk kemi
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Ullsten, Sara (author)
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(creator_code:org_t)
- Elsevier BV, 2006
- 2006
- English.
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In: Chemometrics and Intelligent Laboratory Systems. - : Elsevier BV. - 0169-7439 .- 1873-3239. ; 84:1-2, s. 33-39
- Related links:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Subject headings
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- One- or two-dimensional data obtained with LC/GC/CE and single or multiple channel detection (MS, UV/VIS) are often used as 'fingerprints' in order to characterize complex samples. The relation between samples is then explored by multivariate data analysis (PCA, hierarchical clustering), but inevitable more or less random variation in separation conditions obstructs the analysis. Several methods for peak alignment have been developed, with more or less increase of time and efforts for computations. In this work another approach is presented, based on a correlation measure less sensitive for variations in retention/migration time. The merits of the method as a fast initial data exploration tool are demonstrated for a case study of urine profiling with CE/MS.
Subject headings
- NATURVETENSKAP -- Kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences (hsv//eng)
Keyword
- Chemistry
- Kemi
Publication and Content Type
- ref (subject category)
- art (subject category)
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