公开(公告)号：EP1705579A1

公开(公告)日：2006-09-27

申请号：EP06005710.6

申请日：2006-03-21

申请人： F.HOFFMANN-LA ROCHE AG

发明人： Dieterle, Frank

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

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.

摘要翻译： 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; a）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，通过所述参考主光谱对主光谱进行二进制除法以获得对应的一组光谱商; e）针对至少一个所述主要光谱计算从相应的一组光谱商导出的相关联的一组统计测量; 以及f）针对所述一组统计测量中的至少一个执行异常值检测测试。