Results
The Result Table of a PDA chromatogram is expanded by the following columns: PDA Peak Purity, PDA Name Match, PDA Best Match Name, and PDA Best Match. It is possible to change the order of the columns or hide some of them using the Edit - Setup Columns... command.
Result Table with the PDA data
Displays the PDA Peak Purity value of the peak. In the case the Peak Purity is calculated using the Five points method (as described in the chapter "Method Setup - PDA Method") and the Absorbance Threshold is set too high to be over peak inflexion points, an Error result is displayed with a tooltip hinting for solution.
The Peak Purity calculation uses the Pearson Correlation Coefficient formula to calculate the similarity of any peak spectra to the apex spectrum. The results are re-scaled to the 0-1000 scale and averaged (five results averaged in case of Five points setting, all spectra similarity results averaged in case of All points setting). Calculation details including formulas can be found in the chapter "Appendix - Mathematical Formulas".
Displays the match factor of the spectrum that was found in the first used spectral library based on the name of the peak gained from the Calibration Summary Table.
Caution:
If there are multiple libraries specified in the PDA Method (Chromatogram - Measurement Conditions - PDA), the PDA Name Match will search only the first library.
Displays the name of the best-matching spectrum found according to the method library search options. If there are more libraries specified in the PDA Method (Chromatogram - Measurement Conditions - PDA), the PDA Best Match Name will search all libraries. The library name is displayed as a tool tip over the Result Table cell.
Displays the match factor of the compound from the PDA Best Match Name column.