Origin offers a variety of tools for peak fitting after you have completed the steps of baseline detection and peak finding. You can choose from the following options to fit your data:
- Use one of the over 25 built-in peak functions that Origin provides, such as Gaussian, Lorentzian, Voigt, etc. Alternatively, you can define your own custom peak function using Origin's formula notation.
- Assign the same peak function to all the peaks in your data, or use different peak functions for different peaks depending on their shape and characteristics.
- Perform peak deconvolution to separate and analyze peaks that overlap or are hidden by other peaks in your data.
- Control how the peak centers are determined by the fitting algorithm. You can fix the peak centers at their initial values, or allow them to vary within a certain percentage or range of values around their initial values.
- Set bounds and constraints on the peak parameters, such as height, width, area, etc. to limit the search space and improve the fitting accuracy.
- Share parameters across peaks to fit multiple peaks with a common parameter, such as baseline offset, decay rate, etc.
- Adjust the fitting process to suit your needs. You can run the fitting in one step or in multiple iterations. You can also modify the fitting settings, such as weighting method, convergence criteria, etc.
- Generate a detailed report that includes various information about the fitting results, such as fit statistics (R-square, chi-square, etc.), residuals (difference between data and fit), and a graph that shows the individual and cumulative fit lines for each peak.
- Calculate and report over 25 peak properties that describe the features of your peaks, such as peak area by percentage (relative to total area), variance (spread of the peak), skewness (asymmetry of the peak), and peak excess (difference between actual and ideal peak height).
- Create a fit summary graph that displays a table with customizable peak properties next to your data and fit lines.
To use Origin's peak fitting tools, you need to first perform baseline detection and peak finding on your data. Baseline detection is the process of identifying and subtracting the background signal from your data, leaving only the peaks of interest. Peak finding is the process of locating and labeling the peaks in your data, and estimating their initial parameters, such as center, height, and width. Origin provides several methods for baseline detection and peak finding, such as polynomial fitting, iterative smoothing, wavelet transform, etc. You can also manually adjust the baseline and peak settings to fine-tune the results.
After you have detected the baseline and found the peaks in your data, you can proceed to peak fitting. Peak fitting is the process of finding the best mathematical model that describes the shape and characteristics of your peaks. Origin allows you to fit your data with one or more peak functions, which are mathematical expressions that define how the peak height varies with the independent variable (such as time, wavelength, etc.). You can select from over 25 built-in peak functions that Origin provides, or create your own custom peak function using Origin's formula notation. You can also assign different peak functions to different peaks in your data, depending on their shape and characteristics.
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Origin's peak fitting tools also offer several options to improve the quality and accuracy of your fitting results. You can perform peak deconvolution to separate and analyze peaks that overlap or are hidden by other peaks in your data. You can control how the peak centers are determined by the fitting algorithm, by fixing them at their initial values, or allowing them to vary within a certain percentage or range of values around their initial values. You can set bounds and constraints on the peak parameters, such as height, width, area, etc. to limit the search space and improve the fitting accuracy. You can also share parameters across peaks to fit multiple peaks with a common parameter, such as baseline offset, decay rate, etc. 0efd9a6b88