Method Setup - PDA Method
A new PDA Method tab is available in the Method Setup dialog. The Method Setup - PDA Method dialog can be accessed by using the new Method - PDA Method command in the Instrument window.
Sets the spectral detector for which the particular PDA Method settings will be performed in case more than one spectral detector is configured on the Instrument.
Restricts the comparison of the spectra only to the wavelength range specified in the From and To fields to the left.
Defines the start and end spectrum for peak purity evaluation in % of the detected peak height. Available values range includes integer numbers in the range <0 - 100>.
Sets whether the calculations of peak purity value will be carried out based on All spectra or only the Five significant points: peak purity start (located in one-third of the distance between peak stat and peak apex), peak purity inflexion point (in two-thirds of the distance between peak start and the apex), the other peak purity inflexion point (in one-third of the distance between the apex and the peak end), peak purity end (in two-thirds of distance between the apex and the peak end), and the peak apex.
The baseline (background) for individual wavelengths is interpolated between the peak start and peak end points. With the Use Background Correction checked, the spectra are measured against this surface. Calculation details can be found in the chapter "Appendix"
Note:
Setting the section in the Method Setup - PDA Method dialog causes two things: First, regardless of the settings, the tab is copied to the measured chromatogram. Second, in case at least one library is selected, the library search is performed at the moment of end of acquisition and it's results are stored in the measured chromatogram. Library compound with the best match spectrum is visible in the PDA Best Match Name column of the Result Table, whole search results can be accessed through printing the report (Report Setup - PDA - Library Search Results - Table/Spectra checkboxes). User can later change the search settings in the measured chromatogram's method (Measurement Conditions - PDA Method tab) and the changes done there are automatically applied to the Result Table and further prints. Manual library searches as performed from the PDA Chromatogram window only influence the print of the chromatogram data if the print is invoked directly from the PDA Chromatogram window.
Sets the type of match factor calculation. Possible options are Least square, Weighted Least Square, and Correlation.
Only hits with match factor above the value entered will be displayed.
Limits the number of displayed spectra found by matching according to the other criteria.
Restrict Wavelength Range
The spectra comparison will be limited to the range specified in From and To fields (the whole overlapping range is compared when not checked).
Limits the found spectra only to those with the RT within the range specified in the Relative field (in % of peak RT).
Use Background Correction
The baseline (background) for individual wavelengths is interpolated between peak start and peak end points. With the Use Background Correction checked, the spectra are measured against this surface.
Sets the library search for all detected peaks. While unchecked only identified peaks are evaluated.