speaq 2.0: A complete workflow for high-throughput 1D NMR spectra processing and quantification
Fig 5
Performance comparison workflow.
The default way of processing 1D NMR spectra is illustrated on the left. The case vs. control spectra are aligned and are then binned to produce features which can be used in statistical analysis. Note that the spectral alignment step can be skipped as the binning approach can correct for small shifts. This default processing approach is compared to our method shown on the right. The aim of both methods is to point the user to the peaks/intervals that discriminate between the two groups.