Analysis box

    Analysis box is a preset of basic calculations on the canvas directly.


    It can be reached from the Structure>Place Analysis Box or using the Ctrl+I shortcut.

    Available options:

    • Name

    • Traditional name

    • Molecular weight

    • Formula

    • Formula with charge

    • Exact mass

    • Dot-disconnected formula

    • Dot-disconected formula with charge

    • Isotope composition

    • m/z distribution

    You can format your analysis box in the Analysis box tab of the Preferences dialogue globally for the whole document or from the context menu of the box choosing the Edit Analysis Box option.


    You can calculate the selected values for

    • molecules

    • selection (only one single molecule)

    • reactions

    The structures containing Alias atoms are calculated considering the underlying atom.

    {warning} Please note that upon changes the values get refreshed with the exception of the Analysis boxes created from a selection. When you place an Analysis box of this kind, you will be notified accordingly.

    Analysis boxes can be copied as formatted textboxes.