CHEM-6111

CHEM 6111 - Special Topics - Data Analysis and Acquisition

This 3-credit course will be offered by Dr. Ingrid Ulbrich (with assistance from Prof. Jose L. Jimenez) in Fall of 2012. It will be a required course for 1st year analytical chemistry students, and optional for others.

Course Information

• Lectures: Tue & Thur 12:30 pm - 1:45 pm, Ekeley W166
• Office Hours: TBD
• Required Texts
  • Taylor, Error Analysis, 2nd. Ed., 1997. ISBN: 093570275X, on reserve at Norlin
  • Press, Teukolsky, Vetterling, and Flannery, Numerical Recipes
    • 2nd. Ed. free online You can read the version for any of the coding languages; we'll focus on the discussion, not the code.
    • 3rd. Ed. available for purchase online or book, 2007. ISBN 9780521884075, on reserve at Norlin.
  • Allen and Tildesley, Computer Simulation of Liquids, 1987. Selections will be posted here.

• Introduction to computer graphing, functions and programming (Igor, 2 weeks)

• Basic Data Analysis (Igor, 6 weeks)
  • propagation of errors
  • Basic analysis: interpolation, area integrals, multidimensional data handling
  • Statistics: calculating statistical parameters, distributions, precision, uncertainty, ANOVAA
  • Correlation and regressions (variants)
    • centered (Pearson's) vs uncentered correlation
    • vertical vs orthogonal distance regression
    • squared vs absolute value errors for regression
    • weighted vs unweighted regression
  • boxcar and weighted smoothing
  • Signal-to-noise, noise reducing measures, signal enhancing measures, numerical high pass filters, low pass filters etc.
  • Fitting of custom functions

• Advanced Data Analysis (Igor, 4 weeks)
  • Numerical solution of ODEs
  • convolution (student request to IMU)
  • Montecarlo simulations
  • Positive Matrix Factorization
  • Frequency analysis and FFT

• Data Acquisition (Labview, 3 weeks)
  • Fundamentals of data acquisition
  • Data I/O, parsing of text files, write to file etc.
  • Labview: introduction and programming
  • Data acquisition problems brought by students from their research

• Additional Texts
  • Building Scientific Apparatus (Moore, Davis, and Coplan)