speaq 2.0: A complete workflow for high-throughput 1D NMR spectra processing and quantification
Fig 9
Correlation analysis of significant peaks.
The significant peaks, which are indicated by their peakIndex value, are clustered based on their Pearson correlation. The group of four peaks correspond to the 3-hydroxyphenylacetic acid biomarker, peak nr. 19723 corresponds to the dimethyl sulfone biomarker. Both biomarkers are also identified in the original analysis paper [37], but with only one peak for the first biomarker.