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- To: mathgroup at smc.vnet.net
- Subject: [mg13971] Subscribe to MathGroup
- From: "Patrick Heubler" <patrick at rs1.thch.uni-bonn.de>
- Date: Fri, 11 Sep 1998 15:06:59 -0400
- Sender: owner-wri-mathgroup at wolfram.com
Hi! I'm a chemist working on my PhD thesis about kinetics and NMR spectroscopy. A typical problem (i don't know how to deal with) is to fit experimental data to the (numerical) solutions of a system of coupled differential equations. I want to use mathematica (the function NDSolve), but i don't know if it is possible to optimize the parameters with the help of a least-squares fit: start with typical parameters --> NDSolve --> determination of the errors ---> varying the parameters --> NDSolve ---> least-squares optimization ---> ... Maybe a book or a typical example would help me ... Thank you very much! Patrick Huebler, Bonn, Germany patrick at rs1.thch.uni-bonn.de