4.4.7.3 Setting the Fix, Share Status or Bounds for Multiple Peak Parameters Simultaneously

Quick-Set-MultiPeakParameter

Summary

When performing peak analysis, one often wants to fix parameter values, or share parameters between multiple peaks, or specify bounds. If your data has a few peaks, you can simply perform these settings for each peak. But if your data has many, it may be time consuming to set individually. To make the process more efficient, the Peak Analyzer offers context menus which can allow you to set the fix, share status or bounds for multiple peak parameters simultaneously. For more details about these settings, please refer to the Origin Help File.

Minimum Origin Version Required: OriginPro 8.0 SR6

What You Will Learn

• How to set share status of multiple peak parameters simultaneously.
• How to set upper bounds and upper bound values to multiple peak parameters simultaneously.

Steps

1. Start a new workbook and import the file <Origin Program Folder>\Samples\Spectroscopy\Positive & Negative Peaks.dat.
2. Highlight the second column and select Analysis: Peaks and Baseline: Peak Analyzer to open the Peak Analyzer dialog. In the first page (the Start page), select the Fit Peaks radio button in the Goal group. Then press the Next button to go to the next page.
3. In the Baseline Mode page, select Constant with the Baseline Mode drop-down list and choose Mean in the Constant group. Then click Fit Peaks in the wizard map to directly go to the Fit Peaks page.

   

4. In the Fit Peaks page:
   1. click Fit Control button to open the Peak Fit Parameters dialog. In the lower left corner of the dialog, set the fitting function to Voigt.
   2. Make sure the Parameters tab is active and then select 1 in the Share column of the wG_1 row. Then right click on it and select Apply Same "Share" to All wG. Then you will find that all the parameters with the wG prefix are shared in the same group.

      

   3. Then select 2 in the Share column of the wL_1 row. Then right click on it and select Apply Same "Share" to All wL. Then you will find that all the parameters with the wL prefix are shared in the same group. After this, the Parameters tab should look like below:

      

   4. Activate the Bounds tab. Double-click in the cell in the first Gaussian width row and the second < or <= column. And you will find <= is shown in this cell (the < will be shown if you double-click in the cell for one more time). Then type 5 into the Upper Bounds column in the same row.
   5. Then right click on it and select Apply Same "Bounds" to All wG.

      

      After this, the Bounds tab should look like:

      

5. Click the Fit Until Converged button. When the fitting is done, click OK to close the dialog.
6. Back in the Fit Peaks page, click Finish to complete the analysis. See the results in the source workbook and the graph report.

See FAQ-1012 Why Does "Fit until converged" Generate Different Results Than Multiples of "1 Iteration" When Peak Fitting?