Adding calculated columns to tables

When you have uploaded a file or created a table via enumeration in Plexus Suite, you can calculate certain physico-chemical and molecular properties of all the chemical species in that table. The calculated values will be added to the table as new columns.

The available calculations are as follows:

To use the Add calculated column function, click on the icon on the left action bar or right-click on a column in a spreadsheet and select "Add calculated column" from the context menu.

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The "Add column to ..." panel opens with the above listed calculations. These properties are determined by using the default options of the calculator plugin.

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To add calculated columns to your table, first you need to select calculations by clicking on the relevant check boxes on the panel. Click on the cogwheel (images/download/attachments/1806375/cogwheel_action.png ) to modify the default calculation method, where available.

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You can select more than one property calculation at a time on the panel. After you hit button "Add", the calculation starts. When the progress is finished, the calculated data will appear in separate columns added to your spreadsheet.

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Visit other Plexus pages to learn how the calculations can be used further:

Searching in Your Database

Sorting Data

Selecting Data

Exporting Your Data