Multi-objective optimization for an automated and simultaneous phase and baseline correction of NMR spectral data.
Journal of Magnetic Resonance(2018)
摘要
•The phase and the baseline of NMR signals are corrected simultaneously by a multi-objective optimization.•The trade-off between the objectives improves the preprocessed signal compared to consecutive correction steps.•The functionality of the new method is demonstrated for experimental NMR spectra taken from two sample mixtures.
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关键词
NMR data preprocessing,Automated phase correction,Automated baseline correction,Multi-objective minimization,Whittaker smoother
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