Introductory Chemometrics Course Outline

• 8/28 Descriptive Statistics I: Sec 2.1-2.6
• Mean and standard deviation
• Distribution of repeated measurements
• Log-normal distribution
• Sample definition and sampling distribution of the mean
• Confidence limits of the mean for large samples

• 9/3 Descriptive Statistics II: Sec 2.7-2.12
• Homework: Chap 2 Exercises 3,4,5,8,
• Homework: Problem Set 1, Data Set 1 Download
• Confidence limits of the mean for small samples
• Presentation of results and uses of confidence limits
• Confidence limits of a log-normal distribution
• Propagation of error

• 9/5 Inferential Statistics I: Sec 3.1-3.6,
• Homework: Chap 3 Exercises 1,2,3,4,6,
• Comparison of experimental mean with known value
• Comparison of two experimental means
• Paired t-test
• One-sided and two-sided tests
• F-Test for the comparison of standard deviations
• Outliers

• 9/10 Inferential Statistics II: Sec 3.7-3.13
• Homework: Chap 3 Exercises 5,7,9,11
• Analysis of variance (ANOVA)
• Comparison of several means
• The arithmetic of ANOVA calculations
• The chi-squared test
• Testing for the normality of distribution
• Conclusions from significance tests

• 9/12 Analytical Quality I: Sec 4.1-4.7C
• Homework: Chap 4 Exercises 1,2,4,6
• Sampling
• Separation and estimation of variances using ANOVA
• Sampling strategy
• Quality control methods
• Shewhart control charts for mean values and ranges

• 9/17 Analytical Quality II: Sec 4.8-4.13
• Homework:  Control Chart Problem     Data Set
• Establishing process limits and capability
• Average run lengths and cumulative sum charts
• Proficiency testing schemes
• Collaborative trials
• Uncertainty
• Acceptance sampling

• 9/19 Instrument Calibration I: Sec 5.1-5.6
• Homework: Chap 5 Exercises 2,3,4
• Calibration graphs in instrumental analysis
• Product-moment correlation coefficient
• Regression of y on x
• Calculation of concentration and its random error
• Internal standard methodology

• 9/24 No Class
• Complete Problem Set 2, Exercises 5.2,5.3,5.4
• Anova Data Set Download for Problem Set 2

 
• 9/26 Instrument Calibration II: Sec 5.7-5.11
• Homework: Chap 5 Exercises 5,6,7
• Limits of detection
• Method of standard additions
• Use of regressions for method comparison
• Weighted regression lines

• 10/1 Instrument Calibration III: Sec 5.12-5.15
• Homework: Complete Problem Set 3; Chap 5 Exercises 9,11
• ANOVA and regressions
• Curvilinear regression methods
• Regression outliers

• 10/3 Multivariate Analysis I: Sec 8.1-8.3
• Homework: Chap 8 Exercises 2b,2c
• Multivariate Data Sets
• Principle component analysis (PCA)

• 10/8 Multivariate Analysis II: Sec 8.4-8.7
• Homework: Chap 8 Exercises 1,2a,2d
• Cluster analysis
• Discriminant analysis
• K-nearest neighbor method
• Disjoint class modeling

• 10/10  Multivariate Analysis III: Sec 8.8
• Multiple regression

• 10/12  Multivariate Analysis IV: Sec 8.9-8.11
• Principle component regression (PCR)
• Multivariate regression
• Partial least squares (PLS) regression

• 10/15  Multivariate Analysis V: Sec 8.12-8.13
• Multivariate calibration
• Artificial neural networks

• 10/17 Final exam