How to work with PDA library

PDA Library serves for storing compounds along with their PDA data such as spectrum. Working with PDA libraries and data is possible from PDA Chromatogram window.

Note:

It works on a similar basis as calibration. Search In Library command, searches the PDA library for similar spectrum as defined by your cursor axis in the chromatogram.

PDA library can be managed either from the menu Library or using the toolbar which is shown below:

Manage libraries:
  • Create a new library: click the New Library icon.
  • Open existing library: click the Open Library button and in the dialog choose your desired library.
Add compounds:
  1. Add a spectrum into the library: click the Add Spectrum icon which opens Spectrum Property. In the dialog you can specify compound name and additional comment.
  2. Add all identified peaks: click the command from the menu Spectrum - Add All Identified Peaks.

Note:

Identified peaks are those that correspond to peaks identified and named in the calibration file. Peaks are added into the currently opened library.

  1. Save library: to keep any changes made in the library, click the Save Library icon.
  2. Close library: click the Close Library icon. If you have unsaved changes you will be prompted to either save the changes or discard them.
View library:
  1. Spectral Library View: to view contents of your library, right mouse click in any pane of PDA Chromatogram windo and choose Spectral Library View. It contains a table with spectrum name, retention time and other parameters.