| Alignment of high resolution magic angle spinning magnetic resonance spectra using warping methods. | |
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MedLine Citation:
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PMID: 21094376 Owner: NLM Status: In-Process |
Abstract/OtherAbstract:
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The peaks of magnetic resonance (MR) spectra can be shifted due to variations in physiological and experimental conditions, and correcting for misaligned peaks is an important part of data processing prior to multivariate analysis. In this paper, five warping algorithms (icoshift, COW, fastpa, VPdtw and PTW) are compared for their feasibility in aligning spectral peaks in three sets of high resolution magic angle spinning (HR-MAS) MR spectra with different degrees of misalignments, and their merits are discussed. In addition, extraction of information that might be present in the shifts is examined, both for simulated data and the real MR spectra. The generic evaluation methodology employs a number of frequently used quality criteria for evaluation of the alignments, together with PLS-DA to assess the influence of alignment on the classification outcome. Peak alignment greatly improved the internal similarity of the data sets. Especially icoshift and COW seem suitable for aligning HR-MAS MR spectra, possibly because they perform alignment segment-wise. The choice of reference spectrum can influence the alignment result, and it is advisable to test several references. Information from the peak shifts was extracted, and in one case cancer samples were successfully discriminated from normal tissue based on shift information only. Based on these findings, general recommendations for alignment of HR-MAS MRS data are presented. Where possible, observations are generalized to other data types (e.g. chromatographic data). |
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Authors:
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Guro F Giskeødegård; Tom G Bloemberg; Geert Postma; Beathe Sitter; May-Britt Tessem; Ingrid S Gribbestad; Tone F Bathen; Lutgarde M C Buydens |
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Publication Detail:
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Type: Journal Article; Research Support, Non-U.S. Gov't Date: 2010-09-24 |
Journal Detail:
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Title: Analytica chimica acta Volume: 683 ISSN: 1873-4324 ISO Abbreviation: Anal. Chim. Acta Publication Date: 2010 Dec |
Date Detail:
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Created Date: 2010-11-24 Completed Date: - Revised Date: - |
Medline Journal Info:
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Nlm Unique ID: 0370534 Medline TA: Anal Chim Acta Country: Netherlands |
Other Details:
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Languages: eng Pagination: 1-11 Citation Subset: IM |
Copyright Information:
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Copyright © 2010 Elsevier B.V. All rights reserved. |
Affiliation:
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Department of Circulation and Medical Imaging, Norwegian University of Science and Technology (NTNU), Trondheim, Norway. |
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
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