2.33 2D Correlation Spectroscopy Analysis (Pro)

Summary

This 2D Correlation Spectroscopy Analysis app can be used to calculates synchronous and asynchronous correlation spectra from one set of dynamic spectra (homo correlation) or two sets of dynamic spectra (hetero correlation) induced by perturbation.

Tutorial

This tutorial uses App’s built-in sample project. To open this sample OPJU file:

  1. Right click the 2D Correlation Spectroscopy Analysis App icon in the Apps Gallery and choose Show Samples Folder.
  2. A folder will open. Drag-and-drop the project file 2DCorrSpecSample.opju from the folder onto Origin.
Notes: If you want to save the project after changing, it is recommended saving to a different folder location (e.g. User Files Folder).

Steps

  1. [Book1]Sheet1 contains 5 spectra datasets measured at different temperatures. Spectra datasets are arranged in XYY structure and the temperature values are stored in Comments row as perturbation values. We want to calculate the synchronous correlation spectra from homo correlation dynamic spectra.
  2. Click 2D Correlation Spectroscopy Analysis App icon in the Apps Gallery to open the dialog.
  3. Set 'as following in the dialog:
    • Correlation Type = Homo Correlation
    • Spectral Variables set to column A
    • Dynamic Spectra set to column B - F
    • Reference Spectrum = Average
    • Identify Perturbation by = Comments
    • Scaling = Custom
    • Scaling Factor = 0.27
    • Correlation Spectra = Synchronous

    Click Preview button.
    2D Correlation Spectroscopy Analysis 1.png
  4. Click OK to output results and create a contour graph.