Elsevier

Computers & Chemistry

Volume 16, Issue 4, October 1992, Pages 295-301
Computers & Chemistry

Simulation of GC-MS data: A tool to optimize data analysis and instrumental parameters

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Abstract

An algorithm was developed to simulate GC-MS data. The simulated data allow for the evaluation of mathematical deconvolution methods for coeluting compounds and for the optimization of instrumental parameters. The simulation was validated by comparison with appropriate experiments.

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