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Replaces prior wording suggesting useful age-associated discrimination. Relative signal patterns are not concentration, aroma intensity or quality. Q2 is not classification accuracy.
The results section visualizes assigned elemental compositions across representative whiskies.
Van Krevelen and DBE plots visualize assigned elemental-formula patterns and relative ion signals. Cask-category models are exploratory; the supplementary 10-versus-12-year model has Q2 -0.099 and does not support reliable age prediction.
Printed pp. 209–210 / PDF sheets 10–11; ESM1 Figure S11
Printed pp. 204–205 / PDF sheets 5–6; Figures 2a–b
Formula visualization and limits of classification
Rechecked main text and all visual supplements September 27, 2026. ESM1 Figure S11 is misnumbered S21 in its caption and reports Q2 -0.099. Main/ESM peat sample counts also disagree.
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