TST Rate Viewer Panel

Plot the results of a TST Rate Calculation. The rate constant(s) and the temperature(s) it is calculated at is displayed in a table and plotted.

To display this panel: click the Tasks button and browse to Materials → Quantum Mechanics → Workflows → TST Rate Viewer

To open this panel from the entry group for the results of a job, and load the results, use the Workflow Action Menu .

The following licenses are required to use this panel: MS Maestro

  • Features
  • Additional Resources

TST Rate Viewer Panel Features

Load from Workspace button

Load the results of a TST Rate Calculation from the Workspace entry.

Results table

This table lists all the rate constants calculated at the temperatures specified.

Plot toolbar

The toolbar has tools for manipulating the plot and for saving images. The buttons that are common to all plot toolbars are described in the Plot Toolbar topic.

Plot area

This area displays the plot of the rate constant in 1/s against inverse temperature in 1000/Kelvin. To see how temperature impacts the rate, the Calculate rates at additional temperatures option must be selected when running the calculation from the TST Rate Calculation Panel. If this option is not selected then a single data point is shown for 298.15 K.

Status bar

Use the Reset button to reset the panel to its default settings and clear any data from the panel. If the panel has a Job toolbar, you can also reset the panel from the Settings button menu.

If you can submit a job from the panel, the status bar displays information about the current job settings and status for the panel. The settings include the job name, task name and task settings (if any), number of subjobs (if any) and the host name and job incorporation setting. The job status can include messages about job start, job completion and incorporation.

The status bar also contains the Help button , which opens an option menu with choices to open the help topic for the panel (Documentation), launch Maestro Assistant, or if available, choose from an option menu of Tutorials. If the panel is used by one or more tutorials, hover over the Tutorials option to display a list of tutorials. Choosing a tutorial opens the tutorial topic.

Related Topics