Align to Experimental Options Pane

Align to Experimental Options Pane Features

• Intensity Baselines section
  • Theoretical text boxes
  • Experimental text boxes
• Bounds section
  • Low text box
  • High text box
  • Get from Plot button
• Algorithm options
  • Needleman-Wunsch option
  • Scaling option
  • Customize parameters option
    • Use fixed value option and text box
    • Lower bound text box
    • Upper bound text box
    • Step size text box

Intensity Baselines section

Specify the intensity baselines for elimination of peaks with small intensities. The baseline is given as a fraction of the maximum intensity value. Peaks with fractional intensity that is below the baseline value are ignored.

Theoretical text boxes

Specify the baseline for the theoretical spectrum, by entering the value and the power of 10.

Experimental text boxes

Specify the baseline for the experimental spectrum, by entering the value and the power of 10.

Bounds section

Specify the lower and upper bounds of the frequency, energy, or wavelength to be used in the alignment

Low text box

Specify the lower bound of the region to be used in the alignment.

High text box

Specify the upper bound of the region to be used in the alignment.

Get from Plot button

Get the lower and upper bounds for the alignment from the plot. You can use the Zoom to rectangle button on the Spectrum Plot Panel toolbar to drag out the plot area that you want to include in the alignment.

Algorithm options

Specify the algorithm to be used for the alignment.

Needleman-Wunsch option

Use the Needleman-Wunsch algorithm as detailed in Ref. 290. This is the default.

Scaling option

Align the spectra by scaling the peak positions of the theoretical spectrum by a constant. This is useful when the theoretical predictions are systematically underestimated or overestimated by some factor.

Customize parameters option

Customize the parameters used in the chosen alignment algorithm. Each algorithm has one main parameter (such as the scaling factor) that can be sampled over a range or specified as a value.

Use fixed value option and text box

Use the value specified in the text box as the parameter to use for aligning to the experimental spectrum. The text box is shown when the option is selected.

Lower bound text box

Lower bound of the parameter value to use in the alignment. Not available if Use fixed value is selected.

Upper bound text box

Upper bound of the parameter value to use in the alignment. Not available if Use fixed value is selected.

Step size text box

Size of the step in the parameter value to use in the alignment. Not available if Use fixed value is selected.