Selecting Columns for ImportBack to index page
You can select columns on the Columns tab to import data from. Data without structures can be imported as well. There is no mandatory field, but at least one column should be selected.
Columns tab of the Import File form
Records to read
In Records to read you can specify how many rows should be taken into account to be read into the Columns tab to detect the columns to be imported. This is useful for example when you have an SD file with 25000 structures, and columns are the same for the first 5000 structures. 50 records are enough to detect columns for the whole 5000 set and there is no need to go through all 5000 items, this way the import process will be faster. If you click-in the All check-box, all items will be taken into account. Your selection will only be processed if the Read button is pressed.
Select (5) / Select (15)
If you click on Select (5) / Select (15), first 5/15 data fields will be selected.
If you click Deselect all, the selection will be removed from all data fields.
All fields of selected IJC data table are listed. You can select/deselect columns to be imported by clicking the check-box before the selected column name.
The name and some properties of a selected field can be edited by clicking on the right side of the dialog.
The DisplayName of the field can be edited.
Use as Identifier: we are using the same dialog as in JChem for Excel, but in JChem for Office this option has no effect.
ID: the previously selected ID is displayed again.
IsFormula: if this is set to True, in the grid view (see in Selecting Rows for Import topic) the appropriate field will be displayed as a molecule formula format, which means that the number after atomic symbols will be displayed in subscript. (This function is not active in the excel worksheet, only in the grid view.)
Type: String, Date Time, Numeric.
In Format category the imported and exported format of data in the cell can be specified.
By pressing Next button you can switch to Rows tab, where you can further refine your selection.
You are allowed to go back to the Source tab and select another IJC data table for import and to modify data placement settings.