new features in version2

background image

Copyright 2007, Kenneth A. Johnson and KinTek Corporation, all rights reserved. This software
is offered without warranty of any kind; the user assumes all risk resulting from its use.

KinTek Global Kinetic Explorer™

Version 2.0

with FitSpace

TM

New Features for Version 2

FitSpace Explorer:

Given the power and ease of use of KinTek

Explorer, it is too easy to enter an overly complex model and
often difficult to evaluate whether the model and the rate
constants are actually determined by the data. Conventional
error analysis fails miserably to notify you when your model is
under-constrained. Therefore, it is difficult to evaluate the
extent to which the fit and the model are constrained by the data
especially when fitting multiple parameters to multiple data sets
simultaneously. FitSpace Explorer solves these problems by
exploring the range over which parameters can vary and still
achieve a good fit to the data. This analysis provides more
realistic estimates of errors on fitted parameters than are
obtained by conventional nonlinear regression covariance
analysis.

Confidence contour showing
dependence of sum square
error on parameters.

No more Reverse Polish Notation:

Entry of output expressions now uses the more familiar infix

notation. The first time you load an old mechanism file created under Version 1, you will be
required to convert your output expression to infix notation. This is explained in more detail
under Experiment Editor.

Rate vs Concentration Plot:

You can fit your data to analytic functions in the old-fashioned way

and if you have a series of traces collected at several concentrations, you can click on Rate v
Conc
and see the a graph of the concentration dependence of the observed rates. This is useful in
revealing patterns in the data that suggest the underlying mechanism.

Dimer formation:

Version 1 did not properly handle mass balance of reactions involving

dimerization. The current release resolves these issues.

Faster Execution:

Improvements in the integrator make fitting and scrolling more than 10-fold

faster! Also, the user no longer enters the number of points to simulate; rather, the integrator
optimizes the step-size during simulation.

Double Precision:

All calculations are now done in double precision (64-bit).


Two papers describing the use of the KinTek Explorer and Fitspace Explorer have been
submitted to Analytical Biochemistry, where the theory behind Fitspace Explorer is explained in
more detail than provided here.


Wyszukiwarka

Podobne podstrony:
64 919 934 New Trends in Thin Coatings for Sheet Metal Forming Tools
2008 5 SEP Practical Applications and New Perspectives in Veterinary Behavior
2009 4 JUL New Concepts in Diagnostic Radiology
New Developments in HBV Treatment
New Features for 2004
new beetleaux in mod
Chomsky New Horizons in the Study of Language
NEW baby in Halloween suit and ghost amigurumi pdf pattern italiano english
Żakowski, Karol New Parties in Japan – In the Search of a “Third Pole” on the Political Scene (2013
New directions in sample preparation for analysis of organic
New thoughts in ring3 NT rootkit
Comic Relief A Comprehensive Philosophy of Humor New Directions in Aesthetics
Aaronson etal Algebraization A New Barrier in Complexity Theory
New ideas in cars of the future
ArchiCAD 12 New Features

więcej podobnych podstron