This essay covers only basic topics related to
one-dimensional time-series signals, not two-dimensional data
such as images. It uses a pragmatic approach and is limited to
mathematics only up to the most elementary aspects of calculus,
statistics, and matrix math. (For the math phobic, know that
this essay does not dwell on the math and that it contains more
than twice as many figures as equations). Data processing
without math? Not really! Math is *essential*, just as it
is for the technology of cell phones, GPS, digital photography,
the Web, and computer games. But you can get *started *using
these tools without understanding all the underlying math and
software details. Seeing it work makes it more likely that
you'll want to understand *how *it works. But in the long
run, it's not enough just to know how to operate the software,
any more than knowing how to use a word processor or a MIDI
sequencer makes you a good author or musician.

Why do I title this document "*signal *processing"
rather than "*data *processing"? By "signal" I mean the
x,y numerical data recorded by scientific instruments as time-series,
where x may be *time* or another quantity like *energy
*or *wavelength, *as in the various forms of
spectroscopy. "Data" is a more general term that includes *categorical
*data as well. In other words, I'm oriented to data
that you would plot in a spreadsheet using the "scatter" chart
type rather than *bar *or *pie *charts.

This tutorial makes considerable use of *Matlab*, a
high-performance commercial and proprietary numerical computing
environment and "fourth generation" programming language that is
widely used in research (14, 17, 19, 20), and *Octave*, a free
Matlab alternative that runs almost all of the programs and
examples in this tutorial. There is a good reason why this
language is so massively popular in science and engineering; *it's
powerful, fast, and relatively easy to learn*, you can
download thousands of useful user-contributed functions, it can
interface to C, C++, Java, Fortran, and Python, and it's
extensible to symbolic
computing and model-based
design for dynamic and embedded
systems.* There are many code examples in
this text that you can Copy and Paste and modify into the
Matlab/Octave command line*, which is especially convenient
if you can split your screen
between the two.

My old 90s-era freeware signal-processing application for
Macintosh, called SPECTRUM, was
also used to produce some of the illustrations. Most of the
techniques covered in this work can also be performed in spreadsheets
(11, 22, 23) such as *Excel *or *OpenOffice Calc.*
Octave
and the OpenOffice
Calc (LibreOffice
Calc) spreadsheet program can be downloaded without cost
from their respective web sites.

All of the Matlab/Octave scripts and functions, the SPECTRUM
program, and all of the spreadsheets used here can all be downloaded from this site at no
cost; they have received extraordinarily
positive feedback from users.

If you are unfamiliar with Matlab/Octave, read these sections
about basics and functions and scripts
for a quick start-up. These are not really general-purpose
programming languages like C++ or Python; rather, they are
specifically suited to matrix manipulations, plotting of
functions and data, implementation of algorithms, creation of
user interfaces, and interfacing with programs written in other
languages - essentially the needs of numerical computing by
scientists and engineers. Matlab and Octave are more loosely
typed and are less well structured in a formal sense than
other languages, and thus they tend to be more favored by
scientists and engineers and less well liked by computer
scientists and professional programmers.

At the present time, this work does not cover image processing,
wavelet transforms, pattern recognition, or factor analysis. For
more advanced topics and for a more rigorous treatment of the
underlying mathematics, refer to the extensive literature on
signal processing and on statistics and chemometrics.

This site had its origin in one of the experiments in a course called "Electronics and Computer Interfacing for Chemists" that I developed and taught at the University of Maryland in the 80's and 90's. The first Web-based version went up in 1995. Subsequently it has been revised and greatly expanded based on feedback from users. It is still a work in progress and, as such, benefits from feedback from readers and users.

"People are generally better persuaded by the reasons which they have themselves discovered than by those which have come into the mind of others."

"A computer does not substitute for judgment any more than a pencil substitutes for literacy. But writing without a pencil is no particular advantage."

"

1. Douglas A. Skoog,

2. Gary D. Christian and James E. O'Reilly,

3. Howard V. Malmstadt, Christie G. Enke, and Gary Horlick,

4. Stephen C. Gates and Jordan Becker,

5. Muhammad A. Sharaf, Deborah L Illman, and Bruce R. Kowalski,

6. Peter D. Wentzell and Christopher D. Brown, Signal Processing in Analytical Chemistry, in

7. Constantinos E. Efstathiou, Educational Applets in Analytical Chemistry, Signal Processing, and Chemometrics. (http://www.chem.uoa.gr/Applets/Applet_Index2.htm)

8. A. Felinger, Data Analysis and Signal Processing in Chromatography, Elsevier Science (19 May 1998).

9. Matthias Otto, Chemometrics: Statistics and Computer Application in Analytical Chemistry, Wiley-VCH (March 19, 1999). Some parts viewable in Google Books.

10. Steven W. Smith, The Scientist and Engineer's Guide to Digital Signal Processing. (Downloadable chapter by chapter in PDF format from http://www.dspguide.com/pdfbook.htm). This is a much more general treatment of the topic.

11. Robert de Levie, How to use Excel in Analytical Chemistry and in General Scientific Data Analysis, Cambridge University Press; 1 edition (February 15, 2001),

12. Scott Van Bramer, Statistics for Analytical Chemistry, http://science.widener.edu/svb/stats/stats.html.

13.

14. Educational Matlab GUIs, Center for Signal and Image Processing (CSIP), Georgia Institute of Technology. (http://users.ece.gatech.edu/mcclella/matlabGUIs/)

15. Jan Allebach, Charles Bouman, and Michael Zoltowski, Digital Signal Processing Demonstrations in Matlab, Purdue University (http://www.ecn.purdue.edu/VISE/ee438/demos/Demos.html)

16. Chao Yang , Zengyou He and Weichuan Yu, Comparison of public peak detection algorithms for MALDI mass spectrometry data analysis, http://www.biomedcentral.com/1471-2105/10/4

17. Michalis Vlachos, A practical Time-Series Tutorial with MATLAB, http://alumni.cs.ucr.edu/~mvlachos/PKDD05/PKDD05_Handout.pdf

18. Larry Larson, Evaluation of Calibration Curve Linearity, http://www.deq.state.va.us/waterguidance/pdf/96007.pdf.

19. Tobin A. Driscoll, A crash course in Matlab, http://www.math.umn.edu/~lerman/math5467/matlab_adv.pdf

20. P. E. S. Wormer, Matlab for Chemists, http://www.math.ru.nl/dictaten/Matlab/matlab_diktaat.pdf

21. Martin van Exter, Noise and Signal Processing, http://www.physics.leidenuniv.nl/sections/cm/ip/Onderwijs/SVR/bestanden/noise-final.pdf

22. Scott Sinex, Developer's Guide to Excelets, http://academic.pgcc.edu/~ssinex/excelets/

23. R. de Levie,

24. S. K. Mitra, Digital Signal Processing, a computer-based approach, 4th edition, McGraw-Hill, New York, 2011.

25. “Calibration in Continuum-Source AA by Curve Fitting the Transmission Profile” , T. C. O'Haver and J. Kindervater,

26. “Estimation of Atomic Absorption Line Widths in Air-Acetylene Flames by Transmission Profile Modeling”, T. C. O'Haver and Jing-Chyi Chang,

27. “Effect of the Source/Absorber Width Ratio on the Signal-to-Noise Ratio of Dispersive Absorption Spectrometry”, T. C. O'Haver,

28. “Derivative Luminescence Spectrometry”, G. L. Green and T. C. O'Haver,

29. “Derivative Spectroscopy”, T. C. O'Haver and G. L. Green,

30. “Numerical Error Analysis of Derivative Spectroscopy for the Quantitative Analysis of Mixtures”, T. C. O'Haver and G. L. Green,

31. “Derivative Spectroscopy: Theoretical Aspects”, T. C. O'Haver,

32. “Derivative and Wavelength Modulation Spectrometry," T. C. O'Haver,

33. “A Microprocessor-based Signal Processing Module for Analytical Instrumentation”, T. C. O'Haver and A. Smith,

34. “Introduction to Signal Processing in Analytical Chemistry”, T. C. O'Haver,

35. “Applications of Computers and Computer Software in Teaching Analytical Chemistry”, T. C. O'Haver,

36. “The Object is Productivity”, T. C. O'Haver,

37. Analysis software for spectroscopy and mass spectrometry, Spectrum Square Associates ( http://www.spectrumsquare.com/).

38. Fityk, a program for data processing and nonlinear curve fitting. (http://fityk.nieto.pl/)

39. Peak fitting in Origin (http://www.originlab.com/index.aspx?go=Products/Origin/DataAnalysis/PeakAnalysis/PeakFitting)

40. IGOR Pro 6, software for signal processing and peak fitting (http://www.wavemetrics.com/index.html)

41. PeakFIT, automated peak separation analysis (http://www.sigmaplot.com/products/peakfit/peakfit.php)

42. OpenChrom, open source software for chromatography and mass spectrometry. (http://www.openchrom.net/main/content/index.php)

43. W. M. Briggs, Do not smooth times series, you hockey puck!, http://wmbriggs.com/blog/?p=195

44. Nate Silver, The Signal and the Noise: Why So Many Predictions Fail-but Some Don't , Penguin Press, 2012. ISBN 159420411X . A much broader look at "signal" and "noise". Worth reading.

45. Stats Tutorial - Instrumental Analysis and Calibration, David C. Stone, Dept. of Chemistry, U. of Toronto, http://www.chem.utoronto.ca/coursenotes/analsci/stats/index.html

46. Streamlining Digital Signal Processing: A Tricks of the Trade Guidebook, Richard G. Lyons, John Wiley & Sons, 2012.

47. http://physics.nist.gov/PhysRefData/ASD/ and http://www.astm.org/Standards/C1301.htm

48. Curve fitting to get overlapping peak areas (http://matlab.cheme.cmu.edu/2012/06/22/curve-fitting-to-get-overlapping-peak-areas/#13)

49. Tony Owen, Fundamentals of Modern UV-Visible Spectroscopy, Agilent Corp, 2000. http://www.chem.agilent.com/Library/primers/Public/59801397_020660.pdf

50. Nicole K. Keppy, Michael Allen, Understanding Spectral Bandwidth and Resolution in the Regulated Laboratory, Thermo Fisher Scientific Technical

Note: 51721. http://www.analiticaweb.com.br/newsletter/02/AN51721_UV.pdf

51. Martha K. Smith, "Common mistakes in using statistics", http://www.ma.utexas.edu/users/mks/statmistakes/TOC.html

53. Howard Mark and Jerome Workman Jr, “Derivatives in Spectroscopy”, Spectroscopy 18 (12). p.106.

54. Jake Blanchard, Comparing Matlab to Excel/VBA, https://blanchard.ep.wisc.edu/PublicMatlab/Excel/Matlab_VBA.pdf

55. Ivan Selesnick, "Least Squares with Examples in Signal Processing", http://eeweb.poly.edu/iselesni/lecture_notes/least_squares/

56. Tom O'Haver, " Is there Productive Life after Retirement?", Faculty Voice, University of Maryland, April 24, 2014.

57. http://www.dsprelated.com/, the most popular independent internet resource for Digital Signal Processing (DSP) engineers around the world.

58. John Denker, "Uncertainty as Applied to Measurements and Calculations", http://www.av8n.com/physics/uncertainty.htm

59. T. C. O'Haver, Teaching and Learning Chemometrics with Matlab,

60. Allen B. Downey, "Think DSP", Green Tree Press, 2014. (164-page PDF download). Python code instruction using sound as a basis.

61. M. Farooq Wahab, et. al," Salient Sub-Second Separations",

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