Subject: computer fitting of IR spectra

From: "Dale A. Braden" <[email-masked]>
Date: Thu, 3 Sep 1998 07:11:19 -0700 (PDT)

Dear CCL,

Does anyone know of a freeware program for Unix or Windows that will
enable one to fit an IR spectrum to a series of Lorentzian peaks? 
Ideally, it should accept data as ascii x,y pairs (position, amplitude) 
and automatically generate an initial guess for band positions by doing
some kind of peak pick. 

Best wishes to all,

Dale Braden
Department of Chemistry
University of Oregon
Eugene, OR 97403-1253
[email-masked]