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METHOD FOR PROCESSING A SET OF SPECTRA, PARTICULARLY NMR SPECTRA

机译:处理一组光谱,尤其是NMR光谱的方法

摘要

ABSTRACT OF THE DISCLOSUREMETHOD FOR PROCESSING A SET OF SPECTRA,PARTICULARLY NMR SPECTRAComprises the steps of:a) selecting a principal spectral range;b) recording a plurality of principal spectra in said principal spectral range;c) obtaining a reference principal spectrum in said principal spectral range;d) carrying out, for each one of said principal spectra, a bin wise division ofthe principal spectrum by said. reference principal spectrum to obtain a corresponding set of spectral quotients;e) calculating, for at least one of said principal spectra, an associated set of statistical measures derived from the corresponding set of spectral quotients; andf) carrying out, for at least one of said sets of statistical measures, an outlier detection test. (Figure 2)
机译:披露摘要用于处理一组光谱的方法,特别是NMR光谱包括以下步骤:a)选择一个主要光谱范围;b)在所述主光谱范围内记录多个主光谱;c)获得所述主光谱范围内的参考主光谱;d)对于每个所述主光谱,对主要光谱由说。参考主光谱以获得相应的频谱商集;e)为至少一个所述主光谱计算一组相关联的从相应的频谱集合中得出的统计量商和f)对于至少一组统计量,执行一个离群值检测测试。 (图2)

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