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公开(公告)号：EP1705579B1
公开(公告)日：2017-12-06
申请号：EP06005710.6
申请日：2006-03-21
发明人： Dieterle, Frank
CPC分类号： G01N24/08 , G01R33/4625 , G06F17/18
摘要： A method for processing a set of spectra, particularly NMR spectra, comprising the steps of: a) selecting a principal spectral range; a) 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 of the 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; and f) carrying out, for at least one of said sets of statistical measures, an outlier detection test.
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2.发明公开Method for processing a set of spectra, particularly NMR spectra 审中-公开Verfahren zur Verarbeitung eines Spektrensatzes，insbesondere NMR-Spektren
公开(公告)号：EP1705578A1
公开(公告)日：2006-09-27
申请号：EP05006476.5
申请日：2005-03-24
CPC分类号： G06F17/18 , G01N24/08 , G01R33/4625 , Y10T436/24
摘要： A method for processing a set of spectra, particularly NMR spectra, comprising 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 of the 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; and
f) carrying out, for at least one of said sets of statistical measures, an outlier detection test.摘要翻译： 一种用于处理一组光谱，特别是NMR光谱的方法，包括以下步骤：a）选择主光谱范围; b）在所述主要光谱范围内记录多个主要光谱; c）在所述主光谱范围内获得参考主谱; d）对于所述主要光谱中的每一个，对主谱进行二进制划分所述参考主谱以获得对应的光谱商品集合; e）对于所述主要光谱中的至少一个，计算从相应的光谱商集合导出的相关联的统计测量集合; 以及f）对所述统计测量集合中的至少一个执行异常值检测测试。
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