Purpose
This app can be used to fit a large number of datasets from a worksheet sequentially, and create a simple report table of parameter values and fit statistics.
Features include:
- Fit all XY (YErr) datasets in the active worksheet
- Select a built-in or user-defined function
- Set maximum number of iterations, tolerance, and constraints on parameters
- Three choices for parameter initialization:
- 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 Sequential 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 active worksheet is set as Input Data automatically.
- Select the fitting function, and optionally set the maximum number of iterations, tolerance and constraints.
- Select desired method for parameter initialization.
- Optionally enter custom initial values, fix status, and lower/upper bounds for parameters in pop-up dialog accessible
by clicking the Init Parameters button located next to the OK button.
- Choose the parameter values and statistics you want to output.
- 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.