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

申请人： F. HOFFMANN-LA ROCHE AG

发明人： Dieterle, Frank ,  Ross, Alfred ,  Schlotterbeck, Goetz ,  Senn, Hans

IPC分类号： G06F17/18 ,  G06F19/00 ,  G01R33/46

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。