Exploring the potential of PCA-based quantitation of NMR signals in T-1 relaxometry

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F21%3A10439416" target="_blank" >RIV/00216208:11320/21:10439416 - isvavai.cz</a>
Result on the web
<a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=fSh~plcq_a" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=fSh~plcq_a</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.jmr.2021.106965" target="_blank" >10.1016/j.jmr.2021.106965</a>

Result language
angličtina
Original language name
Exploring the potential of PCA-based quantitation of NMR signals in T-1 relaxometry
Original language description
Principal component analysis (PCA) has proved to be a powerful technique for processing NMR data. It is particularly useful in signal quantitation where it often provides better results compared to a direct integration of individual signals. In the present work, we recapitulate the principles and theoretical framework underlying PCA-based quantitation with a special focus on T-1 relaxometry. We show that under commonly encountered conditions, this approach can provide up to similar to 4-fold improvement in scatter of points in magnetization build-up curves compared to direct integration. Best practices to optimize the PCA performance in measuring the total magnetization are discussed, including minimization of the number of signal-related principal components and a proper selection of FT parameters and data quantitation intervals. For signals consisting of distinct relaxation components, formulas are provided for resolving the components relaxation and illustrated on a real-data example. In addition to the problem of quantitation, the use of PCA in denoising of partially relaxed spectra is discussed in connection with such applications as line shape analysis and monitoring relaxation of individual spectral components. (C) 2021 Elsevier Inc. All rights reserved.
Czech name
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Czech description
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Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10301 - Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect)

Project
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2021
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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