Selecting Columns for Import

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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.

FileImport_Columns

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.

 

Deselect all

If you click Deselect all, the selection will be removed from all data fields.

 

Columns

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.

 

Editing Fields

The name and some properties of a selected field can be edited by clicking on the right side of the dialog.

Basic category:

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.

 

Settings category:

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.

 

  1. After selecting the fields to be imported, the title of these fields can be saved in an .xml file by clicking on Save Filter button.
  2. Next time if you want to import the same data from the same kind of database (having the same tables and fields) the previously saved .xml file can be loaded by clicking on Load Filter button. This .xml file can be saved as default filter in JChem Options/General/File Import/Field Filtering/Default File Field Filter menu. (See also in Options/General Settings topic in this Guide.)

 

FileImport_LoadSaveFilter

 

  1. A label with the name of the active filter file appears at the left bottom side of the dialog showing the appropriate active filter:

 

FileImport_ActiveFilter

 

  1. If you click on a table, which is not included in the active filter, the label disappears.
  2. If you go back to Query tab and re-select the appropriate table or select another table, the label appears again.

 

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.


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