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. 2025 Feb;63(2):90-97.
doi: 10.1002/mrc.5492. Epub 2024 Nov 3.

A New qNMR Compliant Savitzky-Golay Apodization Function for Resolution Enhancement

Carlos Cobas  1 , José Antonio García-Pulido  1 , Paula Mora  2 , Giovanni Selva  3 , Stan Sykora  3
Affiliations

A New qNMR Compliant Savitzky-Golay Apodization Function for Resolution Enhancement

Carlos Cobas et al. Magn Reson Chem. 2025 Feb.

Abstract

In this work, we introduce a novel NMR apodization function designed to enhance spectral resolution while maintaining compatibility with qNMR standards. This function is based on a modified Savitzky-Golay filter, adapted for time-domain application. It effectively suppresses the negative components typically associated with derivative spectra, while also ensuring the preservation of quantitative integrity in NMR analyses.

Keywords: Savitzky–Golay; apodization; derivative; qNMR; resolution enhancement.

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References

    1. R. E. Hoffman and G. C. Levy, “Modern Methods of NMR Data Processing and Data Evaluation,” Progress in Nuclear Magnetic Resonance Spectroscopy 23, no. 3 (1991): 211–258, https://doi.org/10.1016/0079‐6565(91)80005‐m.
    1. J. C. Lindon and A. G. Ferrige, “Digitisation and Data Processing in Fourier Transform NMR,” Progress in Nuclear Magnetic Resonance Spectroscopy 14, no. 1 (1980): 27–66, https://doi.org/10.1016/0079‐6565(80)80002‐1.
    1. J. C. Hoch and A. Stern, NMR Data Processing (New York: Wiley, 1996).
    1. D. D. Traficante and G. A. Nemeth, “A New and Improved Apodization Function for Resolution Enhancement in NMR Spectroscopy,” Journal of Magnetic Resonance (1969) 71, no. 2 (1987): 237–245, https://doi.org/10.1016/0022‐2364(87)90053‐9.
    1. H. Mark and J. Workman, Jr., “Derivatives in Spectroscopy: Part 1 – The Behavior of the Derivative,” in Chemometrics in Spectroscopy (Elsevier, 2007): 339–350, https://doi.org/10.1016/b978‐012374024‐3/50055‐6.

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