RTExtract: time-series NMR spectra quantification based on 3D surface ridge tracking

Time-series nuclear magnetic resonance (NMR) has advanced our knowledge about metabolic dynamics. Before analyzing compounds through modeling or statistical methods, chemical features need to be tracked and quantified. However, because of peak overlap and peak shifting, the available protocols are time consuming at best or even impossible for some regions in NMR spectra.We introduce Ridge Tracking-based Extract (RTExtract), a computer...