- Purpose
This app can be used to fit a large number of datasets from a worksheet sequentially and speedily, and create a simple report table of parameter values and fit statistics.
Features include:
- Fit all XY (YErr) datasets in the active worksheet
- Perform linear, polynomial and nonlinear fit using different algorithms
- Preview of fitted curve for current dataset with 95% confidence band and 95% prediction band
- Select a built-in or user-defined function for nonlinear fit
- Three choices for parameter initialization for nonlinear fit:
- Initialize each dataset independently
- Use fit values from previous dataset as initial parameter values for next dataset
- Use custom (user-specified) initial parameter values for all datasets
- Output parameter values, standard errors, dependencies etc and also output fit statistics including fit status
- Output the fitted curve, and allow go through each dataset by the navigation buttons on the fitted curve graph
- Use metadata elements such as long name or comments as dataset identifier in the output sheet
- Installation
Download the file "Speedy Fit.opx", and then drag-and-drop onto the Origin workspace. An icon will appear in the Apps gallery window.
- Operation
- Import desired data into a worksheet. Make sure that column designations are set correctly (such as XYY..., XYXY.... XYYer... etc)
- With worksheet active, click the icon in the Apps Gallery window.
- In the pop up dialog, the Current Data is the first Y data of the active worksheet, and the preview of fitted curve shows in the right side of the dialog.
- Select a tab to decide what fitting to perform.
- For nonlinear fit, select the fitting function, and the desired method for parameter initialization.
- Optionally enter custom initial values, fix status, and lower/upper bounds for parameters in the table.
- Choose the parameter values and statistics you want to output by clicking Report Settings button.
- Click OK button to perform the sequential fitting.
- For large number of datasets, a progress bar will be displayed, including information on what percentage of datasets were successfully fitted.
- You can quit the fit process in the middle. Results up to that dataset will still be available in the output sheet.
- Dialog Settings
- Linear Tab
- Current Data: The current data from worksheet for preview, change it to check the result of the one you want.
- Weighted Fit: If the current data has error, this checkbox is available for whether to perform weighted fit.
- Table: Show the fitted results of the current data, and you can fix intercept or slope.
- 95% Confidence Band: Show 95% confidence band on preview of fitted curve.
- 95% Prediction Band: Show 95% prediction band on preview of fitted curve.
- Polynomial Tab
- Current Data: The current data from worksheet for preview, change it to check the result of the one you want.
- Weighted Fit: If the current data has error, this checkbox is available for whether to perform weighted fit.
- Order: Select the order of polynomial fit.
- Table: Show the fitted results of the current data, and you can fix intercept.
- 95% Confidence Band: Show 95% confidence band on preview of fitted curve.
- 95% Prediction Band: Show 95% prediction band on preview of fitted curve.
- Nonlinear Tab
- Current Data: The current data from worksheet for preview, change it to check the result of the one you want.
- Weighted Fit: If the current data has error, this checkbox is available for whether to perform weighted fit.
- Category: Select the category of fitting function.
- Function: Select the fitting function from the specified category.
- Parameter Initialization: Specify how to initialize parameters when perform sequential fit. Options include:
- Initialize for Each Dataset: Initialize each dataset independently.
- Use Fit Values from Previous Dataset: Use fit values from previous dataset as initial parameter values for next dataset.
- Use Custom Values for All Datasets: Use custom (user-specified) initial parameter values for all datasets.
- Table: Show the fitted results of the current data, and you can change the values to change the intial values, fix parameters and change lower/upper bounds. If Parameter Initialization is Use Custom Values for All Datasets, the manually changed parameter values (not the values from clicking 1 Iter. or Fit button) in this table is used for each data when performing sequential fit.
- 95% Confidence Band: Show 95% confidence band on preview of fitted curve.
- 95% Prediction Band: Show 95% prediction band on preview of fitted curve.
- Buttons
- Previous Data: Change the current data to the previous one in worksheet.
- Next Data: Change the current data to the next one in worksheet.
- Report Settings: Choose the parameter values and statistics you want to output. For more details, please refer to Quantities to Compute.
- Reinit: For nonlinear fit only. It is to reinitialization the parameters.
- 1 Iter.: For nonlinear fit only. Perform 1 iteration with current parameter values.
- Fit: For nonlinear fit only. Perform iterations until the max number (400) of iteration is reached, or meet the tolerance.
- OK: Perform sequential fit on all datasets in worksheet, and output results.
- Cancel: Do nothing and close dialog.