发明公开
- 专利标题： Method for processing a set of spectra, particularly NMR spectra
- 专利标题（中）： 用于处理一组谱的方法，特别是NMR谱
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申请号： EP06005710.6申请日： 2006-03-21
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公开(公告)号： EP1705579A1公开(公告)日： 2006-09-27
- 发明人: Dieterle, Frank
- 申请人： F.HOFFMANN-LA ROCHE AG
- 申请人地址： Grenzacherstrasse 124 4070 Basel CH
- 专利权人： F.HOFFMANN-LA ROCHE AG
- 当前专利权人： F.HOFFMANN-LA ROCHE AG
- 当前专利权人地址： Grenzacherstrasse 124 4070 Basel CH
- 代理机构： Felder, Peter
- 优先权： EP05006476 20050324
- 主分类号： G06F17/18
- IPC分类号： G06F17/18 ; G06F19/00 ; G01R33/46
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.
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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