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General Nuclear Magnetic Resonance Analysis Toolbox for Stats: A Comprehensive Module for Nuclear Magnetic Resonance-Based Chemometrics and Metabolomics.

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Title: General Nuclear Magnetic Resonance Analysis Toolbox for Stats: A Comprehensive Module for Nuclear Magnetic Resonance-Based Chemometrics and Metabolomics.
Authors: Rocha H; Department of Chemistry, University of Manchester, Oxford Road, ManchesterM13 9PL, United Kingdom., Malmendal A; Department of Science and Environment, Roskilde University, Roskilde4000, Denmark., Probert F; Department of Chemistry, University of Oxford, OxfordOX1 3TA, United Kingdom., Dal Poggetto G; Analytical Research and Development, Merck & Co., Inc., Rahway, New Jersey07065, United States., Bowyer P; JEOL (U.K.) Ltd., Welwyn Garden City, HertsAL7 1LT,United Kingdom., Morris GA; Department of Chemistry, University of Manchester, Oxford Road, ManchesterM13 9PL, United Kingdom., Nilsson M; Department of Chemistry, University of Manchester, Oxford Road, ManchesterM13 9PL, United Kingdom.
Source: Analytical chemistry [Anal Chem] 2026 Jun 02; Vol. 98 (21), pp. 15308-15315. Date of Electronic Publication: 2026 May 18.
Publication Type: Journal Article; Research Support, Non-U.S. Gov't
Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 0370536 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-6882 (Electronic) Linking ISSN: 00032700 NLM ISO Abbreviation: Anal Chem Subsets: MEDLINE
Database: MEDLINE Ultimate
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  Data: General Nuclear Magnetic Resonance Analysis Toolbox for Stats: A Comprehensive Module for Nuclear Magnetic Resonance-Based Chemometrics and Metabolomics.
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  Data: <searchLink fieldCode="AU" term="%22Rocha+H%22">Rocha H</searchLink>; Department of Chemistry, University of Manchester, Oxford Road, ManchesterM13 9PL, United Kingdom.<br /><searchLink fieldCode="AU" term="%22Malmendal+A%22">Malmendal A</searchLink>; Department of Science and Environment, Roskilde University, Roskilde4000, Denmark.<br /><searchLink fieldCode="AU" term="%22Probert+F%22">Probert F</searchLink>; Department of Chemistry, University of Oxford, OxfordOX1 3TA, United Kingdom.<br /><searchLink fieldCode="AU" term="%22Dal+Poggetto+G%22">Dal Poggetto G</searchLink>; Analytical Research and Development, Merck & Co., Inc., Rahway, New Jersey07065, United States.<br /><searchLink fieldCode="AU" term="%22Bowyer+P%22">Bowyer P</searchLink>; JEOL (U.K.) Ltd., Welwyn Garden City, HertsAL7 1LT,United Kingdom.<br /><searchLink fieldCode="AU" term="%22Morris+GA%22">Morris GA</searchLink>; Department of Chemistry, University of Manchester, Oxford Road, ManchesterM13 9PL, United Kingdom.<br /><searchLink fieldCode="AU" term="%22Nilsson+M%22">Nilsson M</searchLink>; Department of Chemistry, University of Manchester, Oxford Road, ManchesterM13 9PL, United Kingdom.
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        Value: 10.1021/acs.analchem.5c07029
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              Text: 2026 Jun 02
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