File Exchange > Data Analysis >    2D Peak Analysis

Author:
OriginLab Technical Support
Date Added:
9/17/2019
Last Update:
11/17/2021
Downloads (90 Days):
286
Total Ratings:
4
File Size:
179 KB
Average Rating:
File Name:
2D Peak Analysis.opx
File Version:
1.30
Minimum Versions:
License:
Free
Summary:

Perform 2d peak fitting and integration for each peak.

Screen Shot and Video:
Description:

  • Purpose
    This app can be used to perform 2d peak fitting, and integrate each peak fitted data.
    Features include:
    • Perform surface/matrix fitting for 2d peak.
    • Do integration for each peak's fitted data.
    • Show preview by contour plot or colormap surface plot.
    • Change each peak's center and width by typing value or resizing peak marker.
    • ROI support.
    • Multiple peak fit support.
    • Baseline support for integration.
  • Installation
    Download the file "2D Peak Analysis.opx", and then drag-and-drop onto the Origin workspace. An icon will appear in the Apps gallery window.
  • Operation
    1. Activate a worksheet with XYZ data or a matrix.
    2. Click the app icon from Apps gallery window to start the app.
    3. If there are more than one XYZ data or matrix object, all valid datasets are listed in the dropbox. You can change accordingly.
    4. Change the preview plot you want, contour plot or colormap surface plot. Contour plot includes fitted curve.
    5. Switch to show peak marker to change peak's center and width, or to show ROI to change using data.
    6. Select peak type.
    7. Choose number of replicas.
    8. Choose which peak parker to show to manage this peak's center and width, or by changing the data in parameter table.
    9. Select baseline for integration.
    10. Change report settings.
    11. Reinit fitting.
    12. Get reduced chi-sqr value of current fit status.
    13. Perform one iteration of fitting.
    14. Perform fitting until converged, or until reaching maximum number of iteration (400), or until reaching the tolerance (1e-9).
    15. Generate report for all datasets.
  • Dialog Settings
    • Current Data: Select a data from all valid datasets.
    • Preview: Which plot is used for preview, Contour or Colormap Surface. Contour includes the fitted curve.
    • Show Rectangle: What rectangle to show on Contour preview. If show Peak Marker, you can resize and move the rectangle (Peak Marker) to change the peak's center and width for fitting. If show ROI, you can change the using data by resizing and moving this rectangle, and the data covered by this rectangle is used.
    • Peak Type: Select a peak function for fitting.
    • Number of Replicas: Specify number of replicas.
    • Current Peak: When Contour is chosen for preview, and Peak Marker rectangle is shown, this is for specifying which peak's marker to display for operations.
    • Baseline: Constant baseline value for integration, including Custom, Minimum, and Maximum.
    • Baseline Z =: If Baseline is Custom, you can specify a value as constant baseline.
    • Integration for Current Peak: This table shows the result of integration. The showing contents can be customized by clicking Report Settings button. The integration is performed for current peak, and the data is the fitted values calcuated using current peak's parameters. Please refer to 2D Integration Gadget for more information.
    • Parameter for Peak Fitting: This table shows the fitting parameters. You can change the value for initialization, fix a parameter, specify bounds, or share parameters if number of replicas is not zero.
    • Previous Data: Switch to the previous dataset.
    • Next Data: Switch to the next dataset.
    • Report Settings: Customize the output report items. For more details, please refer to NLFit Dialog and 2D Integration Gadget.
    • Reinit: Reinit the fitting parameters.
    • Chi-Sqr: Get reduced chi-sqr value of current fitting status.
    • 1 Iter.: Perform one iteration of fitting, and update the values of table.
    • Fit: Do fitting until converged, or until reaching maximum number of iteration (400), or until reaching the tolerance (1e-9).
    • OK: Do the same thing as Fit button for the current data, and then output the report, only for current dataset, also for all other datasets if there is any.
    • Cancel: Close the dialog without output anything.

Updates:

v1.3: Fixed the issue of starting failed in 2022
v1.2: Fixed the issue of starting failed in OriginPro 2020b
v1.1: Fixed parameter error update issue

Reviews and Comments:
02/14/2022snowliHi @pusai,

Do you mean you have an nonlinear expression and want to subtract it before doing the fit?

Is your data Z value in matrix window or XYZ column in workbook?
Suppose your data is in matrix, you can add a new matrix object and set the value using expression e.g. 2*x+3*y^2, etc.
Then you can subtract the two matrices.
Then use this App on the result matrix.

If your data are in A(X) B(Y) C(Z) columns of workbook, u can add a new column D(Z) with formula in F(x) cell of the new column, e.g. 2*A+3*B^2 and then add another new column and add formula C-D. Then use the app on column E(Z)

I created APPS-1138 for our developer to check if we can support baseline expression in the dialog so nonlinear background will be supported.

Thanks, Snow

02/08/2022pusaiIt works well, but it would be better if you could add a non-linear background, like a polynomial with a custom number of degrees

07/07/2020  

03/30/2020s636220we use it for 2D fitting