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Data Analysis (Damped Oscillations) Using the Genfit Function

R. D. Proshusta
Department of Chemistry, Washington State University, Pullman, WA 99164-4630


Abstract

This is a worksheet to illustrate, by realistic example, how to use Mathcad's genfit function for fitting a parameterized model function to given x,y data pairs. Modification of this worksheet to different data and model functions can be made by following guidelines included at appropriate places. Simulated amplitude versus time data of a damped oscillator are used for the illustrative example. For modeling these data three parameters must be optimized: the period of oscillation, the damping constant, and the initial amplitude. An initial guess for parameter values is required and the worksheet contains tips on how these can be selected and improved. Graphical visualization of the data and the model function is used at several steps in the worksheet. Accuracy of the fitted model is assessed graphically and quantitatively.


Figure 1. A sample set of x,y data for a damped oscillation (circled points) fitted with a function shown in the dotted line.

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 sim_dmp.zip contains the Mathcad documents genfit11.mcd, sim_dmp.mcd, and sim_dmp05.mcd, and the data files data_x, data_y, data_xy.prn, and dmposcxy.prn

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Commentary

*  Editor's Commentary

Other Information

Keywords

Audience: Upper-Division Undergraduate;

Domain: Analytical Chemistry; Laboratory Instruction; Physical Chemistry;

Pedagogy: Computer-Based Learning;

Topics: Chemometrics; Mathematics / Symbolic Mathematics;


JCE Citation

* Proshusta, R. D. J. Chem. Educ. 2005 82 1101.
 Home > JCE DLib > SymMath > Data Analysis (Damped Oscillations) Using the Genfit Function


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