Experiments

The Experiments menu provides access to all the functionality that is needed to add new data sets to an analysis project, and set or change experiment parameters. In addition, experiment series can be defined that are useful for analyzing, for example, temperature series or titration experiments. The advanced user can view and create experiment prototypes that contain formal descriptions of NMR experiments.

Open Spectra

Opens the Experiments: Open spectra popup, which allows the selection and loading of spectrum data files with header information and any associated parameter files. Multiple spectra can be selected and loaded at the same time. In the process of adding new spectra, the user will be guided through a series of associated popups:

• • Experiments: Open spectra: used to select the data files, setting of file names and specification of chemical shift list

  • Verify Spectra: used to check the parameters of the spectra

  • Experiments: Edit Experiments: used to specify the experiment type and other parameters

Upon commitment, experiment and spectrum objects are created within analysis with the data location being set by the selected file.

Edit Spectra

Opens the Experiments: Edit Spectra popup, which is used for inspecting and changing a large set of spectrum specific parameters, such as:

• • experiment and spectrum names

  • display options

  • referencing

  • spectrum tolerances

  • file details

  • data locations

Can also be used to delete spectra.

Edit Experiments

Opens the Experiments: Edit Experiments popup, which is used to specify the experiment types and other parameters for selected spectra. The popup provides access to information about all the existing experiments in the project:

• • experiment names, data sources and associated chemical shift lists

  • experiment types

  • experimental details

  • shift references

  • NMR instruments

Also provides an option to create a new, arbitrary experiment (without any associated spectra).

NMR Series

Opens the Experiments: NMR Series popup. This popup allows the user to group NMR experiments together into series. Each series corresponds to several experiments of the same type which vary in one parameter, such as sample pH, temperature or T1 time interval. The value of the variable parameter may be set for each experiment (condition point).

Experiment Prototypes

Opens the Experiments: Experiment Prototypes popup. This popup allows the creation and manipulation of experiment prototypes. Experiment prototypes are reference descriptions of pulse programs, that are used to initialise an Experiment. Each NmrExpPrototype contains a family of similar RefExperiments, sharing a common magnetisation transfer path, that provide the reference for a particular Experiment variant.