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Chemometric Description

Key Elements

Code

ACIN 510

Formation

M2 Chemical Industrial Analysis

Semester

1

Credits

3

Number of Teaching Hours

8

Number of Tutoring Sessions

13

Number of Laboratory Sessions

15

Content

Objective

Content

Part one 1. Introduction to mixing design : Punctual optimization method: Simplexe method 2. Mixing designs without constraints : First Degree Models, Second Degree Models, Cubic Models, Advantages and Disadvantages of mixing designs 3. Mixing designs with individual constraints : a. Lower limit constraints i. Implied upper constraints ii. Pseudo‐components b. Upper limit constraints i. Implied lower constraints ii. Pseudo‐components c. Upper and lower limits constraints i. Constraints compatibility ii. Experimental field iii. Number of peaks iv. Mac Lean & Anderson algorithm 4. Desirability functions a. Elementary desirability functions i. Unilateral left ii. Unilateral right iii. Bilateral b. Global desirability functions 5. Applications on NEMRODW Part Two: Data Treatment 1. Introduction to data treatment 2. Pre-treatments of data a. Objectives b. Normalization, smoothing and convolution, base line correction, ... c. Spectral soustraction, Derivation d. Samples and Variables Selection 3. Descriptive Methods a. Introduction b. Principal Components Analysis 4. Discriminative Methods a. Introduction b. Discriminant Factor Analysis 5. Predictive Methods a. Introduction b. Linear regressions c. Partial Least Square Regression 6. Application on CATS (or another data treatment software)