NMR TITAN is an easy-to-use software package for the two-dimensional lineshape analysis of titration experiments. By performing a theoretically rigorous analysis of chemical exchange in 2D experiments, TITAN provides many advantages over other analysis methods, eliminating a number of systematic errors, effectively resolving overlapping peaks, and allowing data to be fitted to complex binding models such as dimerisation, induced fit or conformational selection.
The software is freely available for academic use.
We maintain a library of Bruker-format pulse sequences on GitHub, which provides convenient synchronisation across multiple spectrometers. Pulse sequences for all published experiments are deposited here, while other sequences may be under development and should be used at your own risk.
NMRTools.jl is a simple library under development for the import, analysis and plotting of NMR data in Julia, a modern high-level, high-performance, dynamic programming language well-suited to scientific computation.
julia> using NMRTools, Plots; julia> spec = loadnmr("../../exampledata/1D_19F/test.ft1") julia> plot(spec)