Spectrum

	Select Spectral Data	Allows to select the displayed spectra if there is more than one PDA spectrum in the chromatogram.
	Add to Library…	Adds the selected spectrum to the spectral library (Ctrl + A). For more details, see the description below.
	Add All Identified Peaks	Adds the spectra of all identified peaks to the spectral library. For more details, see the description below.
	Library Search Options...	Opens the Spectral Library Search Options dialog (Ctrl + F). For more details, see the description below.
	Perform Library Search	Searches the library for a matching spectrum (F3). For more details, see the description below.
	Normalize Zoomed	Normalizes the spectra in the zoomed range. For more details see also chapter Spectral View.
	Normalize Whole	Normalizes the spectra on the whole wavelength axis range. For more details see also chapter Spectral View.
	Normalization OFF	Turns the normalization off.

 

Add to Library

Adds the selected spectrum to the spectral library. Invoking the command, using the icon, or the Ctrl + A shortcut invokes the Spectrum Property dialog, where the user can name the compound and add comments to it before the spectrum is added to the library. If the spectrum is already present in the library (matched by the same name), the user is asked to confirm the spectrum's overwriting.

Spectrum Property

Compound Name

Serves for setting the compound name.

Retention Time

Displays the retention time of the selected spectrum.

Comment

Allows to add custom comments.

Add All Identified Peaks

This command allows user to add all identified peaks in chromatogram all at once. Identified are all the peaks which corresponds to peak identified and named in calibration file. Peaks are added into the currently opened library.

Library Search

The Library Search Options... command (or the Ctrl + F shortcut) opens the Spectral Library Search Options dialog, where you can configure parameters for searching selected libraries to find a spectrum that matches the current peak.

Using the Perform Library Search command (or the icon or F3 shortcut) performs the library search according to the set parameters. If no search parameters have been set before, the Spectral Library Search Options dialog will be displayed.

Spectral Library Search Options

Match Criteria

Sets the type of the match factor calculation. Possible options are Least square, Weighted Least Square and Correlation (calculation details are in the chapter "Appendix - Mathematical Formulas").

Copy From Current Method

Copies the settings from the PDA Method of the active chromatogram. In other words, loads the settings from the Chromatogram - Measurement Conditions - PDA tab.

Match Factor

Only the hits with a match factor above this value will be displayed.

Max Hits

Maximum number of displayed spectra that were found by matching according to the set criteria.

Restrict Wavelength Range

The spectra comparison will be limited to the range specified by the From and To fields (the whole overlapping range is compared if not checked).

Restrict Retention Time

Limits the found spectra only to those with retention time (RT) within the range specified in the Relative field (in % of peak RT).

Libraries

Specifies the libraries to be searched. Click the button to add a new line to the list and use the button to invoke the Select Spectral Library dialog where you can select the Spectral Library to be opened. Check/uncheck the checkbox next to the library to include/exclude it in the search.