Practical data analysis in chemistry /

The majority of modern instruments are computerised and provide incredible amounts of data. Methods that take advantage of the flood of data are now available; importantly they do not emulate 'graph paper analyses' on the computer. Modern computational methods are able to give us insights...

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Bibliographic Details
Call Number:Libro Electrónico
Main Author: Maeder, Marcel
Other Authors: Neuhold, Yorck-Michael
Format: Electronic eBook
Language:Inglés
Published: Oxford : Elsevier, 2007.
Series:Data handling in science and technology ; v. 26.
Subjects:
Chemistry > Statistical methods.
SCIENCE > Chemistry > General.
Chemistry > Statistical methods
Chemie
Datenanalyse
Online Access:Texto completo
Texto completo
Table of Contents:
  • 1. Introduction
  • 2. Matrix Algebra
  • 2.1 Matrices, Vectors, Scalars
  • 2.2 Solving Systems of Linear Equations
  • 3. Physical/Chemical Models
  • 3.1 Beer-Lambert's Law
  • 3.2 Chromatography / Gaussian Curves
  • 3.3 Titrations, Equilibria, the Law of Mass Action
  • 3.4 Kinetics, Mechanisms, Rate Laws
  • 4. Model-based Analyses
  • 4.1 Background to Least-Squares Methods
  • 4.2 Linear Regression
  • 4.3 Non-Linear Regression
  • 4.4 General Optimisation
  • 5. Model-Free Analyses
  • 5.1 Factor Analysis, FA
  • 5.2 Target Factor Analyses
  • 5.3 Evolving Factor Analyses
  • 5.4 Alternating Least-Squares
  • 5.5 Resolving Factor Analysis, RFA
  • 5.6 Principle Component Regression and Partial Least Squares, PCR and PLS.

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