Index of /soft/varcomp/kcl

Evgenii B. Rudnyi

 Name                    Last modified       Size  

 Parent Directory        06-Apr-2011 04:18      -  
 COPYING                 06-Jan-2005 15:45    18k  
 FREE_LICENSE            06-Jan-2005 15:45     1k  
 hscor.cpp               05-Jan-2005 10:33     9k  
 kcl.cpp                 05-Jan-2005 10:32     4k  
 kcl.dat                 15-Sep-1995 23:18    17k  
 kcl.new.lst             05-Jan-2005 09:47    43k  
 kcl.old.lst             17-Sep-1995 00:49    46k  
 kcl.set                 16-Sep-1995 15:47     9k  
 makefile                05-Jan-2005 09:46     1k  
 run                     05-Jan-2005 19:52     1k

Copyright (C) 1995 Evgenii Rudnyi, http://Evgenii.Rudnyi.Ru/

This software is a copyrighted work licensed under the terms,
described in the file "FREE_LICENSE". 

Note that the license written as the code output concerns the binary.
The source code is covered by "FREE_LICENSE".

Use at your own risk.

This file is written in 2005.

Vaporization thermodynamics of KCl 
==================================

This is software to accompany my paper [1]. This is a re-written
version of the  Fortran code (see kcl.tar.gz at my homepage). Here the
algorithm to maximize the maximum likelihood is separated from the
description of the case (varcomp library). As result, this is much
more manageable (compare with the previous Fortran code.

Files 
-----

hscor.cpp is f2ced version of dhscor.for (I needed to change f2c.h to
g2c.h).

kcl.cpp is the driver with the problem description (I needed to change
a function name in init_res from Add to insert).

run is script to run.

kcl.dat is the file with experimental values (converted from
kcltotal.dat).

kcl.set is the description of 5 computational cases in the next order:
  ML when all experiments are considered to be of the same quality;
  OLS with all experiments;
  ML under expert conclusion (ML in [1] and ML(II) in [2]);
	OLS with a small subset of experiments (OLSs in [1]);
  ML with a smal subset of experiments (MLs in [1]). 

kcl.old.lst is the old listing.

kcl.new.lst is the new listing.

There is a small difference in the forth significant digit between the
new and old listings presumably because of different convergence
criteria described in sumsqr.cpp in the varcomp library.


[1] E.B. Rudnyi. Statistical model of systematic errors: linear error
model. Chemometrics and Intelligent Laboratory Systems. 1996, V. 34, N
1, p. 41-54. 

[2] E.B. Rudnyi, D.W. Bonnell, D.W. Hastie. Vaporization
thermodynamics of KCl. Combined processing of total vapor pressure and
evaporation rates.  Vestn. Mosk. Univ., ser. Khimiya, 35, 291-308
(1994) (in Russian). Moscow Univ. Chem. Bul., 1994, N 2 (English
transl).