Numares Ag

Renate Kirchhoefer

Volker Pfahlert

Fritz Huber

Andreas Krumpel

A method for characterizing a sample is disclosed, having the following steps: providing at least one analysis result having a plurality of values, wherein the analysis result was generated by the analysis of a sample by at least one analysis method; determining the value of at least one mathematic relation between at least two values of the plurality of values; generating a characterizing signature of the sample on the basis of the value of the at least one mathematic relation. Furthermore, a method for characterizing a system is disclosed in which method the preceding method is used.

Method for characterizing a sample by data analysis

The present invention relates to a method which allows for an automatic substance identification on the basis of an NMR spectrum. In the scope of the method, determining a multitude of integral ratio values, in each case from at least two integral values of the NMR spectrum, takes place, wherein each integral ratio value specifies the ratio of the height and/or area of the underlying spectral values, and determining a multitude of distance values, in each case from at least two position values of the NMR spectrum, takes place, wherein each distance value specifies the spectral distance between the underlying spectral values. The integral ratio values and the distance values are then used for substance identification.

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Wuppertal, Germany

Renate Kirchhoefer