Data Analysis

The Data Analysis menu provides access to a variety of functions for the analysis of some specific common NMR experiments, such as tracking chemical shift changes and analyzing heteronuclear NOE experiments.

Measurement Lists

Opens the Data Analysis: Measurement Lists popup. This popup gives an overview of all the chemical shift lists and other measurement lists (coupling, T1, ...) that are in use. It provides the number of shifts and the experiments that the lists are associated with, and allows creation of new and deletion of existing measurement lists. The popup also gives direct access to all the individual chemical shifts stored in the lists.

Rates Analysis

Opens the Data Analysis: Rates Analysis popup. This popup provides the functionality to analyze relaxation rates from relaxation experiments, T1, T2 and T1rho.

Shift Differences

Opens the Data Analysis: Shift Differences popup, which provides a convenient tool to compare the chemical shifts of assigned resonances in different chemical shift lists. Useful to compare, for example, chemical shifts of a protein in a bound and unbound state, in which the differences can indicate the binding site.

Follow Shift Changes

Opens the Data Analysis: Follow Shift Changes popup. The functionality in this popup allows following chemical shift changes in an experiment series, for example in a titration experiment or temperature series, and transferring assignments.

3J H-Hα Coupling

Opens the Data Analysis: 3J H-Ha Coupling popup. This popup allows the analysis of 3J H-Ha couplings and to derive dihedral angle constraints from the couplings that can be used in structure calculations.

Heteronuclear NOE

Opens the Data Analysis: Heteronuclear NOE popup. This popup allows the user to calculate the 1H-15N NOE from the intensity ratio of peaks in reference and saturated peak lists. This popup is restricted to using two-dimensional spectra with 1H and 15N axes.