Difference between revisions of "CHEM-6111"

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== Lectures, Reading, and Homework ==
 
== Lectures, Reading, and Homework ==
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=== Introduction to computer graphing, functions and programming (Igor, 2 weeks) ===
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== Introduction to computer graphing, functions and programming (Igor, 2 weeks) ==
  
 
*Igor Resources
 
*Igor Resources
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* [http://cires.colorado.edu/jimenez-group/Chem-6111/Homework/Chem6111_Fa12_HW1%20-%20Intro%20to%20Igor.pdf Homework 1], due Thursday, Sept. 6 at the beginning of class, in the d2l dropbox.
 
* [http://cires.colorado.edu/jimenez-group/Chem-6111/Homework/Chem6111_Fa12_HW1%20-%20Intro%20to%20Igor.pdf Homework 1], due Thursday, Sept. 6 at the beginning of class, in the d2l dropbox.
  
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=== Basic Data Analysis (Igor, 6 weeks) ===
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== Basic Data Analysis (Igor, 6 weeks) ==
  
 
*''Reading for Tues, 9/4/12:  Taylor Ch. 1-4 (emphasis on 3 & 4)''
 
*''Reading for Tues, 9/4/12:  Taylor Ch. 1-4 (emphasis on 3 & 4)''
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** fixed x wave vs. free x wave
 
** fixed x wave vs. free x wave
  
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=== Advanced Data Analysis (Igor, 4 weeks) ===
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== Advanced Data Analysis (Igor, 4 weeks) ==
 
* Numerical solution of ODEs
 
* Numerical solution of ODEs
 
** NR Ch. 17 (Runge-Kutta)
 
** NR Ch. 17 (Runge-Kutta)
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** NR Ch. 12, 13
 
** NR Ch. 12, 13
  
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=== Data Acquisition (Labview, 3 weeks) ===
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== Data Acquisition (Labview, 3 weeks) ==
 
* Fundamentals of data acquisition
 
* Fundamentals of data acquisition
 
* Data I/O, parsing of text files, write to file etc.
 
* Data I/O, parsing of text files, write to file etc.

Revision as of 13:52, 4 September 2012

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
  • Course Syllabus
  • Required Texts
    • Taylor, Error Analysis, 2nd. Ed., 1997. ISBN: 093570275X, on reserve at Norlin
    • Press, Teukolsky, Vetterling, and Flannery, Numerical Recipes
    • Allen and Tildesley, Computer Simulation of Liquids, 1987. Selections will be posted here.

Tentative Assignment Dates

All assignments are due at the start of class. All homeworks will include electronic submission of an Igor experiment file, and some may also include submission of written material in class.

  • HW 1: Tuesday, 9/11/2012
  • HW 2: Thursday, 9/27/2012
  • HW 3: Tuesday, 10/16/2012
  • Midterm Exam: 10/18/2012 (in class), on all of the "basic" techniques below
  • HW 4: Tuesday, 11/6/2012
  • HW 5: Thursday, 11/29/2012
  • HW 6: Friday, 12/14/2012
  • Final Exam: 12/19/2012, 1:30-4 pm, cumulative, with emphasis on the latter half of the course; location TBD

Lectures, Reading, and Homework

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

  • Homework Igor Resources
    • Igor Homework Template
      • Please use this for all of your homeworks! Open it when you start each homework. When you're ready to save your experiment, it will ask you to save in the regular experiment format, .pxp (packed experiment). Do save it that way. Don't overwrite the template file!
    • Igor Programming Conventions
      • Save this file, then open it on your computer. It will load into Igor (.ipf is Igor Procedure File).
  • Homework 1, due Thursday, Sept. 6 at the beginning of class, in the d2l dropbox.

Basic Data Analysis (Igor, 6 weeks)

  • Reading for Tues, 9/4/12: Taylor Ch. 1-4 (emphasis on 3 & 4)
  • propagation of errors
    • Taylor Ch. 3
  • Statistics:
    • statistical parameters
      • Avg, Std Dev, Pop Std Dev, SDOM
        • Taylor Ch. 4
        • NR Ch. 14
    • distributions
      • Taylor Ch. 5 (normal), 10 (binomial), 11 (Poisson)
    • Histograms & number of bins
      • Igor manual
    • precision, uncertainty
      • Taylor Ch. 2
    • ANOVA
      • Stat parameters NR Ch. 14
  • interpolation,
  • area integrals
    • NR Ch. 4
    • between markers
    • multidimensional data handling
  • Correlation and regressions (variants)
      • Taylor Ch. 9
      • NR Ch. 13.2, 14.5
    • centered (Pearson's) vs uncentered correlation
      • NR Ch. 15.0-3
    • vertical vs orthogonal distance regression
    • squared vs absolute value errors for regression
      • chi2 Taylor Ch. 12
    • weighted vs unweighted regression
  • boxcar and weighted smoothing
    • Allen Ch. 6.5, NR Ch. 14.9
    • propagation of errors
  • Signal-to-noise, noise reducing measures, signal enhancing measures, numerical high pass filters (freq response in smoothing), low pass filters etc.
  • Fitting of simple functions
    • Taylor Ch. 8 (least squares)
  • Fitting of custom functions
    • fitting known spectra to total spectrum
    • cubic spline fits
    • fixed x wave vs. free x wave

Advanced Data Analysis (Igor, 4 weeks)

  • Numerical solution of ODEs
    • NR Ch. 17 (Runge-Kutta)
  • convolution
    • NR Ch. 13.1
  • Montecarlo simulations
    • Allen Ch. 4, 7.3
    • NR Ch. 7.3, 7,7, 7.9, 15.8
  • Positive Matrix Factorization
  • Frequency analysis and FFT
    • Allen Ch. 6.3, 6.5
    • NR Ch. 12, 13

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 Resources

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