Using JChem Excel Functions

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Most of JChem for Excel functions require a structure as an input. The functions can be reached by opening the function wizard and also by entering the name of the function and related parameters to the cells.

 

Function wizard

  1. Select a cell and click on the Insert Function ribbon button.

 

       Ribbon.Formulas

 

       Menu.Insert.Functions.2003

 

  1. JChem specific functions are collected in separate categories among basic Microsoft Excel functions and are always named starting with "JC" to  differentiate from other basic Excel functions (see also in Custom Excel Chemical Functions topic). Category names are starting with JChem prefix:

 

form.JChem_Function_Categories

 

  1. Select a category (e.g. JChem_Elemental Analysis) from the combo list and select a function (e.g. JCExactMass). Click on the OK button.

 

       Form.InsertFunction

 

  1. The Function Arguments form is opened. Select data for arguments:

 

       Form.FunctionArguments

 

Please, note that there is a short description for each function argument, but JChem for Excel's online help is also available here.

 

  1. Close the Function Arguments form by OK button. The calculated data (exact mass of the specified structure) are displayed in the selected cell.

 

Cell

JChem for Excel functions are available from the cells as well, like other MS Excel functions. In this case, select a cell, enter the name of a function, and the necessary parameters (cell address containing a structure). e.g.: =JCExactMass(A4)

 

NOTE: Atom Numbers

A lot of JChem for Excel functions, which require atom numbers as input, these can be displayed with JCAtomNumberImage functions. If you would like to apply these numbers in further calculations, you should start numbering from zero, which means that the atom numbers displayed with JCAtomNumberImage function have to be reduced with 1.

 

NOTE: Structure Drawing Behaviour - Excel Dialogs

In special cases when Excel dialogs are visible, e.g. editing function arguments with cross-references to other worksheets it is advised to switch-off structure drawing possibilities in Options (see the details here).


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