Chemometrics in SIMS

September 15, 2009
SIMS XVII
Toronto, Canada

Course Description

Chemometrics in SIMS covers methods for dealing with the discontinuous spectra produced by Secondary Ion Mass Spectrometry. Methods for single sample SIMS will be discussed along with SIMS in surface analysis where images are produced with an entire SIMS spectrum for each pixel.

The course will focus on the most essential of chemometric techniques, Principal Components Analysis (PCA). Preprocessing and data issues particular to SIMS will be discussed. PCA for Multivariate Image Analysis (MIA) will be demonstrated for surface SIMS. Classification techniques will also be discussed. The course concludes with an introduction to curve resolution techniques for recovering pure spectra from mixtures.

Participants are encouraged to bring laptops with MATLAB, PLS_Toolbox and MIA_Toolbox installed or with Solo+MIA. (Free, fully functional demos are available.) Follow-along examples will be presented in class.

Prerequisites

Some background in linear algebra is useful. Students may also find Intro to Multivariate Image Analysis helpful.

Chemometrics in SIMS Course Outline

Intro to Principal Components Analysis
- Data centering and scaling
- Other preprocessing particular to SIMS
- The PCA decomposition
- Interpreting scores and loadings
- Q and T2 statistics
Multivariate Image Analysis (MIA) for surface SIMS
- Matricizing images
- Scores images, loadings
- Overlays
- Score-score plots: density
- Links between score space and the image plane
- Contrast enhancement
- Maximal Autocorrelation Factors, MAF
Classification
- SIMCA
- Partial Least Squares Discriminant Analysis, PLS-DA
- Classification on Images
Self-modeling Mixture Analysis and Self-modeling Curve Resolution
- Pure variable method
- Pure spectrum method

Course Schedule

12:00 - 1:30 Instruction
1:30 - 2:00 Lunch (provided)
2:00 - 3:00 Instruction
3:00 - 3:15 Break (coffee, tea, sodas, snacks)
3:15 - 5:00 Instruction

Course Fees

The price schedule is shown below. Course fee includes instruction, course notes, lunch, coffee and snack breaks.

To get the Early Registration rate, registration must be made with payment on or before August 10, 2009.

Note: registration must be received with payment on or before August 10, 2009, in order to get the discounted Early Registration price. We will only invoice at the Regular Registration rate. Acceptable forms of payment include MasterCard, VISA and checks drawn on a US bank. Wire transfers can also be arranged.

PLS_Toolbox discount: All attendees can purchase PLS_Toolbox for MATLAB or Solo software for $200 off the current industrial rate as part of the course. Orders must be placed by October 15, 2009.

How to Register, Deadlines and Cancellations

To register, login to your Eigenvector account, or create an account, then select the class you would like to attend. You can pay directly with your MasterCard or VISA using our secure credit card processing, or ask to be invoiced. Payments must be received with registration by August 10, 2009, in order to get the early registration prices.

Complete refunds will be made for cancellations prior to August 17, 2009. Cancellations after that date will be assessed a $100 cancellation fee.

Course Venue and Lodging

The course will be held in conjunction with the SIMS XVII conference, which is at the Delta Chelsea Hotel.

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Eigenvector Research, Inc., 3905 West Eaglerock Drive, Wenatchee, WA 98801
B.M. Wise, bmw@eigenvector.com, Phone: 509.662.9213, Fax: 509.662.9214
N.B. Gallagher, nealg@eigenvector.com, Phone: 509.687.1039, Fax: 509.687.2033