Purpose
This app 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.
Installation
Download the twoDCorrSpec.opx file, then drag-and-drop onto the Origin workspace. An icon will appear in the Apps gallery window.
Operation
- Activate a worksheet with XYY... columns. The perturbation values should be specified in the column label row (Comments, Parameters or User Defined Parameters) for each spectrum.
Note: For hetero correlation, you can put two sets of spectra in separate worksheets.
- Click the icon in the Apps Gallery window to open the dialog.
- Dialog settings:
- Correlation Type:
- Homo Correlation: One set of dynamic spectra (e.g. Raman) is measured under perturbation.
- Hetero Correlation: Two sets of different dynamic spectra (e.g. Raman and IR) are measured under same perturbation.
- Input:
- Spectral Variables: Select an X column (e.g. wavenumber or wavelength).
- Dynamic Spectra: Select multiple Y columns.
Note: For hetero correlation, specify Spectral Variables and Dynamic Spectra for two sets of spectra correspondingly.
- Options
- Reference Spectrum:
- None: Use raw dynamic spectra.
- Average: Average dynamic spectrum is subtracted from dynamic spectra.
- Select Reference: Select a reference spectrum that is subtracted from dynamic spectra.
- Indentify Perturbation by: Select which column label row stores the perturbation variables.
- Perturbation Variables: Values read from chosen column label row.
- Scaling:
- None: Scaling factor is 0.
- Pareto scaling: Scaling factor is 0.5.
- Pearson scaling: Scaling factor is 1.
- Custom: Scaling factor can be changed between 0 and 1. Closer the value is to 0, the stronger the influence of the dominant signals becomes.
- Correlation Spectra: Select Synchronous or Asynchronous to calculate.
- Click Preview button to display calculated spectra.
- Click OK button to output calculated spectra and create a contour graph.
Sample OPJU File
This app provides a sample OPJU file. Right click on the app icon in the Apps Gallery window, and choose Show Samples Folder from the short-cut menu. A folder will open. Drag-and-drop the project file 2DCorrSpecSample.opju from the folder onto Origin. The Notes window in the project shows detailed steps.
Note: If you wish to save the OPJU after changing, it is recommended that you save to a different folder location (e.g. User Files Folder).