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| Data Analysis (Damped Oscillations) Using the Genfit Function© |
R. D. Poshusta
Department of Chemistry
Washington State University
Pullman, WA 99164-4630
United States
mail to: poshustr@mail.wsu.edu
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| Abstract |
This document is an example of how to use the Mathcad Genfit function to do a general least squares fit of a model function to experimental data. The damped oscillator is the model function used here. The uncertainties of the fitting parameters are computed by using the second derivative matrix. The "error matrix" is reciprocal of the second derivative matrix. From the error matrix the uncertainties in the fitting parameters are obtained as described by Bevington ["Data Reduction and error analysis for the physical sciences" P.R. Bevington p 246; McGraw-Hill, 1969]. This document compliments the approach taken in "van der Waals and Redlich Kwong: Fitting Two Parameter Equations to Gas Data" by Theresa Julia Zielinski. Students can adopt this document as a model for writing their own curve fitting documents. The author thinks that this method is general enough to work for many mathematical models. Faculty and students can generate additional data sets for damped oscillations with the sim_dmp.mcd file. Additional data sets for damped oscillations help students to practice the concepts and provides faculty with an assessment strategy.
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| Commentary |
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Keywords |
| Audiences: |
Upper-Division Undergraduate |
| Pedagogies: |
Computer-Based Learning |
| Domains: |
Analytical Chemistry, Laboratory Instruction, Physical Chemistry |
| Topics: |
Chemometrics, Mathematics / Symbolic Mathematics |
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Documents |
| File Name | Description | Software Type | Software Version |
| sim_dmp.pdf |
Read-Only Document |
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sim_dmp.zip  |
Computational Documents |
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| JCE Subscribers only: name and password or institutional IP number access required. |
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| Citations |
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Comments to: Ron Poshusta at poshustr@mail.wsu.edu
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©Copyright 1996-2005 Journal of Chemical Education
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