HPLC-WIZARD beta 1.0

Bo Bergmann 120010312330 at post5.tele.dk
Sun Nov 1 19:57:13 EST 1998


Finally, the beta version 1.0 of HPLC-WIZARD is ready for evaluation. 
Get to our home page at http://home5.inet.tele.dk/daller/index.htm
to download the beta version.

HPLC-WIZARD is  a Microsoft® Windows 95/98/NT application designed for 
fast and
easy calculation of amino acid distributions from HPLC - chromatograms. 
In contrast
to the existing method of numerical integration, which suffers from 
systematical errors
due to inaccurate partion of overlapping peaks and improper treatment of 
the background
function,  HPLC-WIZARD calculates an amino acid distribution by 
modelling the HPLC- chromatograms
by using different density functions to model the peaks and a background 
function based
on Principal Component Analysis to model the background.

In the evaluation of appropiate candidate functions to model the peaks 
in the HPLC - chromatograms,
it was found necessary to develop tools to estimate how good a candidate 
function was able to model
the chromatograms in a visual as well as statistical aspect. As these 
tools are made available to
the user means that, apart from calculation of amino acid distributions 
from HPLC-chromatograms, 
HPLC - WIZARD offers the following other important features:

1. The functionality of a MDI-application (Multiple Document Interface). 
Which 
   makes simultanous examination of several HPLC-chromatograms possible.

2. An user friendly environment making it easy to navigate around in the 
HPLC -
   chromatograms. This implies zoom, scroll, clip and stretch functions 
and
   the ability to draw chromatograms in numerous ways.

3. A function gallery, in which the user can select among several 
density
   functions to find the best function to model the peaks in a specific
   chromatogram.

4. Access to view and edit any parameter in the system. This implies 
e.g. editing
   or restraining individual peak and backgrund function parameters.

5. Graphical insertion, modification and minimization of peak functions, 
making it
   possible to model peaks with underlying structures or huge overlaps.

6. Implementation of joint refinement to handle response overflow.

7. Three different quantification methods. This involves a fully 
automatic weighted
   averaging of the compounds in up to 10 chromatograms.

8. Well-arranged presentation of results on screen as well as printer.



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