XCombust-1.0	 by mkhd
 
This program allows you to check for solvent inclusion and other adduct 
formation based on the combustion analysis data of your sample.
Enter the molecular formula of the desired compound into "Compound:" and 
proceed analogously for a possible contaminant, e.g. the solvent you used
for recrystallization. By pressing "Mass:" you will get the respective 
molecular weights.
If you additionally enter the percent values found for C, H, and N and 
press "Do factor search:", the program will check if the given values would
be in accordance with an actual sample of type:

		compound * K contaminant 

If you get error messages, make shure your input is correct; there are two
verions possible to compile: one using correct cases and do not require "1"
as index, and another that allows you to type all element abreviations in
small letters but this one requires digit "1" as index (e.g. c2h5o1h1).
It's possible to enter only 2 percentage values for factor search, but the 
resulting conclusions is tentative then (you'll be told that). 
 
 
I hope it's useful to you.

Martin Doll, Ph.D.
Organisch Chemisches Institut 
der Universitaet Zurich
Winterthurerstrasse 190
CH-8057 Zurich

e-mail: mkhd@omni.cc.purdue.edu
