NMRViewJ allows you to directly fit data derived from experiments used for relaxation analysis (T1, T2 etc.). The analysis is done by picking peaks in one of the series of experiments, and then automatically extracting the intensities at the corresponding positions in the relaxation series. A variety of choices are available for how the intensities are measured. If you have two datasets collected at the same time point the tool can estimate the standard deviation by comparison of the intensities in these two experiments. A few button clicks and you can have the intensities measured, the standard deviation calculated, and all the values fit to your chosen equation.
Equations and Spectra
NMRView includes several relevant equations including those for both two and three parameter exponential fits, J Modulation fits, and Relaxation Dispersion fits. Special settings are provided to normalize data to the first data point for the relaxation dispersion analysis. As you step through each peak the actual experimental data is shown as the peak regions for each dataset.
Relaxation Data Table
As with the titration analysis, all the measured and fit data is entered into a table. Highlighting one or more rows of the table shows you the experimental data points and the fitted curves.
Since NMRViewJ can generate statistical bar charts you can plot the measured relaxation rate and associated standard deviation for each peak, either as a function of peak number if you don't have assignments, or as residue number if you do.