2.23 Peak Deconvolution

Summary

The App Peak Deconvolution is capable of performing peak analysis intuitively and interactively. It is able to define baseline, then detect the peaks, and fit peaks.

In this tutorial, we will use the app Peak Deconvolution to perform the batch peak analysis for multiple input dataset which have similar peaks.

Tutorial

  1. Download the sample project from this link. Unzip it and drag-and-drop it into Origin workspace to open it.
  2. Activate the graph window "Graph1". This graph has multiple curves, and these curves have similar peak distribution at specific range. We are going to select the region with peaks. Click the Scale In toolbar button Button Scale In.png to draw a retangle to select the interesting region.
    Peak Deconvolution 01.png
  3. Click the icon of Peak Deconvolution app to open the dialog. Only the active curve has been selected to perfrom peak analysis here.
    Peak Deconvolution 02.png
  4. In the Baseline tab, select Straight Line for Baseline Model option.
    Peak Deconvolution 03.png
  5. In the Peaks tab, click Peak Finding Settings button to open the Peak Finding Settings dialog. In this dialog, do the settings as below:
    Peak Deconvolution 04.png
  6. Click Find and then OK button at the bottom to find the peaks and close this dialog. Click the Fit until Converged button Button Fit until Converged.png to perfrom fitting on these three found peaks.
    Peak Deconvolution 05.png
  7. Go to the Results Settings tab, click Configure Report... button to set Dataset Identifier to Plot Legend.
    Peak Deconvolution 06.png
  8. Click OK button at the bottom to close this dialog. Now, we are going to perfrom peak finding and peak fitting with same settings on other curves in the source graph too. Click Batch peak fitting for all data button to perfrom the batch peak analysis. A summary result book will be created.
    Peak Deconvolution 07.png
    In this result sheet, the first column is Dataset Identifier which shows the plot legends for each curve. And the second column is the peak index of three peaks on each curve. The fitting results for these peaks are listed in the following columns, from the fourth column to last column.
  9. Now, we are going to compare the Center Max values of three peaks on different curves. Select Col("Center Max") to plot a scatter plot. You will see the peak center generally moves backwards gradually, against the variable "Sample Direction".
    Peak Deconvolution 08.png