- 8/22
Week 1: Calibration Curves
- Calibration
graphs in instrumental analysis (Harris 4.8)
- Curvilinear
regression methods
- Calculation
of concentration and its random error
- Calculation
of unknown concentrations from nonlinear curves (Harris Box 4-2)
- Linest
Excel Function (Harris Section 4.7)
- Problem Set 1: "Cadmium Calibration and
Curvilinear Regression"
- 8/29
Week 2: Degrees of Freedom, Analysis of Variance, and Comparison of Errors
- Brereton
Chemometrics, Sections
2.2.1-2.2.2
- Calibration
experimental design
- Variance,
Sum of Squares (SS), and Degrees of Freedom (DOF)
- Total
Sum Squares (SStot), Regression SS (SSregr),
Residual SS (SSres), and Coefficient of Determination (R2)
- Replicate
Sum of Squares (SSrepl) and Lack of Fit Sum of Squares (SSlof)
- Problem Set 2: "Sum of Squares
Calculation," Sum of Squares Classroom Handout
- 9/5
Week 3: Internal Standard Quantitative Methods, Detection Limits, Class Example
- Internal
standard (IS) methodology (Harris 5-4)
- Response
factor IS methods
- Response
ratio IS methods
- Limits
of detection (Harris 5-2)
- Problem Set 3
- 9/12
Week 4: Standard Addition Quantitative Method Class Example
- Method
of standard additions (Harris 5-3)
- Problem
Set 4: Class handout
- 9/19
Week 5:
- Propagation
of Uncertainty from Random Errors (Harris 3-4)
- Review
of 1st and 2nd order calibration, internal
standard, and standard addition methods
- Detection
limit calculations
- 10/3
Week 7: Descriptive Statistics
- Brereton
Chemometrics: A.3: Basic
Statistical Concepts, Harris (4-1, 4-2)
- Mean,
median, standard deviation, variance, covariance, correlation coefficient
- Normal
distribution, Log-normal distribution
- Confidence
limits
- Presentation
of results and uses of confidence limits
- Homework:
Problem Set: "Statistical Analysis
of Charlotte-Rock Hill Air Quality Data"
- 10/10
Week 8: Inferential Statistics
- Brereton
Chemometrics: A.3: Basic Statistical
Concepts, Harris (4-3, 4-4, 4-5, 4-6)
- p
values
- t-tests:
experimental mean with known value, two
experimental means, paired
t-test
- One-sided
and two-sided tests
- F-Tests
- Outliers
and Q tests
- Conclusions
from significance tests
- 10/17 Week
9: Analytical Quality
- Harris:
Chapter 5
- False
positive (alpha) errors, false negative (beta) errors
- Detection
Limit (DL), Limit of Quantification (LOQ), reporting of
“No-detect” results
- Standard
Reference Materials
- Quality
Samples: Blanks (reagent, method, field), Spikes (Calibration check,
Extract, Sampling Media)
- Statistical Process Control
(SPC), Shewhart Mean and Range Control Charts
- Interlaboratory Proficiency
Testing
- Homework:
Problem Set “Control Chart Problem”
- 10/24
Week 10: Design Matrices and Modeling
- Brereton Chemometrics, Sections 2.2.3, Matrix Algebra
handout
- Mathematical
models to describe experimental data
- Matrices
- Determining
the model
- Predictions,
root-mean-square errors of calibration and prediction
- Homework:
Problem Set “Predicting Daily Maximum Ozone
Concentrations”
- 10/31
Week 11: Matrix Algebra
- 11/7
Week 12: Introduction to Matlab and Multiple Linear Regression (MLR)
- 11/14
Week 13: Introduction to Principal Components Analysis (PCA)
- 11/29
Week 14: PCA and Review