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How to work with libraries

Libraries are useful for archiving your analytical data and related information. For a guided tour through available functions around libraries, please review one of the following topics:

Creating a new library

  1. From the Library menu, select the New... command.

  2. A New Library Settings dialog is displayed:

  3. Fill in the fields of the dialog.

      • File and Name
        The file name and the library name will be synchronized automatically, when entering a new file name. The name of the library can be modified then without changing the original file name file.

      • Description
        You may enter a description for the library optionally. The description field allows to save some keywords on the main purpose of the library.

      • Copyright
        The owner of a library might enter a copyright label optionally.

      • Data Settings
        For IR spectra and UV spectra, some special upload conditions can be adjusted here. The resolution of spectra to be uploaded into this library will be automatically changed to the selected resolution. This way a library with comparably low data resolution can be created for optimization of search speed.

  1. Click the New button to create the library.

Opening a library

Before you can work with libraries and access data inside a library, you either need to create one or open an existing library similar to files and projects. Please follow the steps below to open a library:

  1. From the Library menu, select the Open... command or just click the icon in the toolbar of the library explorer.

  2. In the file selection dialog, select a library file with the extension *.library from your preferred hard disc or network location.

  3. Click the Open button in the file selection dialog to continue.

  4. The library is now connected to the software and a corresponding node is available in the library explorer tree.


Other library formats are also supported!

Galactic libraries and Nicolet libraries are also supported. If you need to connect to other libraries, please contact your software vendor for help.

The library explorer

The library explorer is the most important tool when working with libraries. It always provides a good overview over your data and connected libraries. From this central tool you can create, open and close libraries, add data, remove data and search data on libraries.

After a library has been created or opened successfully, a new library node is added to the library explorer:


Initially, a new library is empty. The properties and some statistical information about the library can be reviewed in the properties tab below the library explorer. Herein all information previously entered during creation of the new library are visible. Additionally, some statistics about the contents and resolution settings of the library are shown. For each data type a separate statistic category is available.

Adding data into a library

For the analyst the default pathway to work with analytical data is to open e.g. a spectrum of interest in a software, evaluate or manipulate the spectrum and then save it together with the results either back to a file or into a library.

There are several ways to insert data into libraries. You can add single data objects one by one or a batch import can be performed, where data is located in a particular folder of your file system.

Adding single data objects

Please follow the steps below to insert a data object into a library:

  1. Open the data object file, e.g. a spectrum you like to insert into a library.

    • From the File menu, select the Open command.

    • Navigate to the file location on your hard disc or network and select the file to be loaded.

    • Click the Open button.

Project data is also applicable...

If you have a project with your particular collection of analytical data to be stored in a library, you can open the objects in the main workspace from the project as well by Double clicking with the Left mouse button onto the desired object.


  1. The data object, e.g. a spectrum is now displayed in the main workspace of the software. In the figure below, an IR spectrum of 4-Chloro-2-Methoxyphenol is shown.


Properties tab is updated automatically!

You may wonder, why the properties tab on bottom right has changed. It holds the properties of the opened spectrum now, because the contents of all tabs on the bottom right will always be updated automatically according to the current active object in the software. In this case you see the details about the active spectrum in there.


  1. From the Library menu, select the Insert 'spectrum name' into Library command or use the keyboard short hand CTRL-SHIFT-I.
    The spectrum name available in the menu will be updated automatically according to the current active data object.


  2. If no destination library has been selected in the library explorer, a library selection dialog is opened.

    • From the library selection dialog, select the destination library.


    • Click the OK button to complete insertion of data.

  1. The library explorer tree is updated accordingly. If you expand the nodes below the 'IR-Library' node, you will see a new category for IR spectra and below this a new spectrum node for the spectrum which has been inserted.

Adding or searching single data objects with Drag & Drop

Those users, who do not like to work with menus or keyboard short hands, can insert data into a library or search via Drag & Drop with the mouse.

  1. Just open the data object to be inserted or searched as described above.

  2. Now move the mouse pointer somewhere close to the spectrum graph.

  3. Hold down the Left mouse button and move the mouse pointer. The mouse pointer is shown.

  4. Move the mouse pointer to the destination library node in the library explorer tree on the right.

  5. Release the Left mouse button.

  6. A context menu is opened, which offers the following options:

    • Select the Search command to search the data object on the library.

    • Select the Insert command to insert the data object into the library.

    • Select Cancel to discard the operation.

Adding multiple data from files in a directory

Users usually have collected many files with analytical data in one or more folders and sub-folders on their hard disc or network. The more files are available the greater the chaos. In order to circumvent loosing control over your data, you might archive those files from a folder and sub-folders enclosed into a library just by a single command in the software:

  1. Create a new library as described above before starting the archiving process (Optional).

  2. From the Library menu, select the Import Data from Directory command or use the CTRL-SHIFT-D short hand. The following dialog will be opened:

  1. Type the complete path into the Source Directory field, where your data files are located or click the icon to select a path from a dialog.

  2. Type a valid file mask into the file mask field.

    • You may import files by extension.
      In this case type e.g. *.dx to import all JCAMP-DX files.

    • You may import files by name.
      In this case type e.g. MyFile*.* to import all files starting with 'MyFile'. One or more asterisk wild cards can be used in the file mask.

Can I import various data types at once?

Yes, if the file mask is set to *.*, all files of all known data types will be imported automatically.


  1. Toggle the Include Subdirectories flag on or off.
    If you also like to include all sub-folders located in the source directory for importing data, please check the checkbox.

  2. Select the destination library, where files will be imported.

  3. Click the Import button to start the import process.

Duration of import!

The import of files into a library may take minutes or even hours depending on your hardware performance and the number of files to be applied. While importing you cannot continue working with the software.


  1. After completion of the file import, a report is shown with the import results and details about errors. This report can be saved or copied as text into the clipboard with CTRL-C short hand.


  2. Click the Close button to finish or the Save Log button to store the report.

  3. The contents in the library explorer tree are updated accordingly.

Opening and modifying data of a library

Analytical data located in a library are treated like data in projects.

To open e.g. a spectrum, simply double click with the left mouse button onto the desired item in the library tree.

The data object will be opened in the main workspace.

Any modification of the data object will be temporarily applied until the user finally saves or discards these modifications.


If a spectrum is opened from a library and a normalization has been carried out, the spectrum is marked modified. The user needs to save or close the data window to finally apply these modifications. Only if the user applies the modification, data will be permanently changed in the library.

Removing data from a library

Data, which is no longer required, e.g. because it is a duplicate of another object or it has been replaced by a more reliable object, can be easily removed from the library.

  1. Expand the libraries tree in the library explorer until you see the node of the item you like to remove.

  2. Select the item to be deleted in the tree.

  3. Press the DEL-key and the object is removed without further confirmation.

Removing/Closing a library

To keep control and an overview over your data you have the opportunity to temporarily remove or close libraries, which are no longer required at the moment. In this case the library node will be no longer available in the library explorer. But it does not mean, the library has been physically deleted from your hard disk! You can reopen it any time later on.

  1. In the libraries tree of the library explorer, select the library node you like to remove.

  2. From the Library menu, select the Close command or click theicon on top.