发明名称 METHOD OF VISUALIZING NON-TARGETED METABOLOMIC DATA GENERATED FROM FOURIER TRANSFORM ION CYCLOTRON RESONANCE MASS SPECTROMETERS
摘要 <p>The invention can be summarized as follows. The present invention provides a method of displaying spectroscopic data comprising the steps of, i)obtaining spectroscopic data from a plurality of samples, each sample comprising one or more components wherein each component is characterized by an ordered pair (X,Y) of data comprising data element value X and data element value Y, wherein X is a data element value, equivalent or directly proportional to the mass of the component, and Y is a data element value equivalent or directly proportional to the amount of the component; ii) identifying all unique components comprising a common data element value X in said samples; computing the average of all X therefrom; and determining the average and optionally, the standard deviation for all Y values from all ordered data pairs comprising a common X; iii) generating a data structure comprising an array of codable cells, each cell assigned a color or other identifiable characteristic based on the relationship of the amount of each unique component present in each of said samples in relation to a predetermined value or other characteristic of the spectroscopic data. Also disclosed are data structures comprising spectroscopic data.</p>
申请公布号 WO2003081506(P1) 申请公布日期 2003.10.02
申请号 CA2003000389 申请日期 2003.03.20
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