Wavelet-based ultra-high compression of multidimensional NMR data sets |
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Authors: | Cobas J Carlos Tahoces Pablo G Martin-Pastor Manuel Penedo Mónica Javier Sardina F |
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Affiliation: | Laboratorio Integral de Dinámica e Estructura de Biomoléculas José R. Carracido, Unidade de Resonancia Magnética, Edificio Cactus, RIAIDT, Universidade de Santiago de Compostela, 15782 Santiago de Compostela, Spain. qocarlos@usc.es |
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Abstract: | The application of a lossy data compression algorithm based on wavelet transform to 2D NMR spectra is presented. We show that this algorithm affords rapid and extreme compression ratios (e.g., 800:1), providing high quality reconstructed 2D spectra. The algorithm was evaluated to ensure that qualitative and quantitative information are retained in the compressed NMR spectra. Whilst the maximum compression ratio that can be achieved depends on the number of signals and on the difference between the most and the least intense peaks (dynamic range), a compression ratio of 80:1 is affordable even for the challenging case of homonuclear 2D experiments of large biomolecules. |
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Keywords: | NMR Wavelet Data compression Quantitative NMR |
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