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Article #269Non-linear Regression in Chemistry
From: Jeff Bangert
Date: Thu, 03 Sep 1992 11:42
Date: Thu, 03 Sep 1992 11:42
36 lines
1744 bytes
1744 bytes
A chemist has asked me to solve a problem: she has data and a model
which is to be fit by 'least squares'. It looks like non-linear
regression, except that:
1. the model has two equations
2. both are non-linear
3. there are parameters common to the two equations.
I would like to know:
1. is there a 'standard' method for solving this problem?
2. is there literature in stat or chemistry which I could read?
Clearly, I can form the sum of squared errors for each equation and
add them together. I have lots of methods for minimizing the result.
However, this seems to ignore the question of the weighting of the two
equations.
I solved this kind of problem several years ago by writing FORTRAN +
IMSL. Now that it has come up again, I wish I had some backup
literature that at least suggests the 'standard' solution method. I
don't like reinventing the wheel.
Since the current data matrix is small, 4 by 2, I'm going to use
non-linear optimization in Quattro Pro this time. It produces nice
graphs. But, if I stick with QP, I'll also have to calculate the
standard errors of the parameter estimates. Right now, I'm not
looking forward to this.
Thanks for the help,
--
Jeff Bangert jeff@kuhub.cc.ukans.edu
Computer Center jeff@ukanvax.bitnet
University of Kansas
Lawrence, KS 66045
(913)864-0466
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Path: arc1-ca.pugleaf.net!sparky!uunet!wupost!zaphod.mps.ohio-state.edu!moe.ksu.ksu.edu!kuhub.cc.ukans.edu!jeff From: jeff@kuhub.cc.ukans.edu (Jeff Bangert) Newsgroups: sci.math.stat Subject: Non-linear Regression in Chemistry Message-ID: <1992Sep3.064230.42744@kuhub.cc.ukans.edu> Date: 3 Sep 92 06:42:30 CDT Organization: University of Kansas Academic Computing Services Lines: 36