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

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

Wim G. Pool, Jan W. de Leeuw and Bastiaan van de Graaf
Computers & chemistry, Vol.16(4), pp.295-301
01/10/1992

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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