Biomedical Commons^™

Bamorc: A Software Package For Accurate And Robust 13C Reference Correction Of Protein Nmr Spectra, Xi Chen, Andrey Smelter, Hunter N. B. Moseley

Molecular and Cellular Biochemistry Faculty Publications

We describe Bayesian Model Optimized Reference Correction (BaMORC), a software package that performs ¹³C chemical shifts reference correction for either assigned or unassigned peak lists derived from protein NMR spectra. BaMORC provides an intuitive command line interface that allows non-nuclear magnetic resonance (NMR) experts to detect and correct ¹³C chemical shift referencing errors of unassigned peak lists at the very beginning of NMR data analysis, further lowering the bar of expertise required for effective protein NMR analysis. Furthermore, BaMORC provides an application programming interface for integration into sophisticated protein NMR data analysis pipelines, both before and after the …