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1. MiniChem 1: Significant Figures, Rounding and Error Analysis 1.1 Significant Figures 1.1.1 Definition • All non-zero digits are significant 823.47 → 5 significant figures • Zeros between two non-zero digits are significant 702.1 → 4 sig. figs • Leading zeros are not significant 0.0035 → 2 sig. figs • Trailing zeros are significant* 1.34500 → 6 sig. figs. * Some authors (purists?) treat exact factors of 10 when written explicitly as in 20 or 350, in the same way as if they were written 2 x 101 or 35 x 101. This means that these numbers have only 1 and 2 significant figures, respectively; and only if the measurements are reported as 20. and 350. should these numbers be considered to have 2 and 3 significant figures, respectively. I believe that most people who report the value of a measurement as 20 or 350 do intend to inform the reader that their measurements were performed with 2 and 3 significant figures, instead. 1.1.2 Arithmetic and Significant Figures • Addition and subtraction: keep as many decimal places as there are in the measured value with the smallest # of decimal places. 1.340 + 2.54 = 3.88 • Multiplication and division: keep as many sig figs as there are in the measured value with the smallest # of sig figs. 2.34567 x 3.21 = 7.53 • Logarithm: keep as many decimal places as there are sig figs in the number in the log (Ln, ln or log) function. log(3.451) = 1.2387 (4 sig figs → 4 decimal places) • Exponential: keep as many sig figs as there are decimal places in the number in the exp function exp(3.451) = 31.5 (3 decimal places → 3 sig figs) Marco Ceruso, The C Research Lab, © 2009-2012 1.2.Rounding 1.2.1 Round-to-nearest 2.526 → 2.53 23.443 → 23.44 3.465 → 3.47 or 3.46* -3.455 → -3.46 or -3.45* * In other words decimal ending in 1 2 3 and 4 are rounded down, decimals ending in 6 7 8 9 are rounded up and decimals ending exactly in 5 need a tiebreaking rule as the Round-half to even, Round-half to odd and Round-half up rules below: (a) Round-half-to-even: nearest even integer up or down 3.465 → 3.46 -3.455 → -3.46 (b) Round-half-to-odd nearest odd integer up or down 3.465 → 3.47 -3.455 → -3.45 (c) Round-half-up: round up 3.465 → 3.47 (since 3.47 > 3.46) -3.455 → -3.45 (since -.345 > -3.46) 1.3 Error Analysis 1.3.1 Reporting a measurement and its associated error/uncertainty xbest ± δx xbest is the best estimate of the measurement (usually the average) and δx is the uncertainty in the measurement. The statement xbest ± δx indicates that the probable range is expected to fall within the range [x-δx, x+δx]. Note that experimental uncertainties should always be rounded to 1 significant figure. Thus: report 9.82 ± 0.02 instead of 9.8200 ± 0.0234 1.3.2 Propagation of uncertainties • Addition and subtraction E.g. if result = x1 + x 2 + ... + xN then ! result = • 2 2 ( ) ( ) ! x1 + ! x2 2 ( ) + ... + ! xN Multiplication and division E.g. if result = z1 ! z 2... ! zN then ! result result 2 = 2 "!z % "!z % "!z 1 $ ' + $ 2 ' + ... + $ N $# z '& $# z $# z '& 1 2 N Marco Ceruso, The C Research Lab, © 2009-2012 % ' '& 2 • If result=B.x, where B is known exactly, then δx=|B|.δx 1.3.3 Average and standard deviation • • Average or mean: x = 1 N Standard deviation ! x = N !x i =1 1 N i N = #( 1 N (x + x 1 xi " x 2 ) 2 + ... xN or ! x = ) 1 N #( xi " x 2 ) N " 1 i =1 If one computes an average and a standard deviation from a series of measurements it is common to report the best estimate and its associated error as the average and the standard deviation, respectively: i =1 xbest ± δx → x ± ! x If the distribution of measurements is expected to be Gaussian this way of reporting a measured value indicates that ~68% of the measured values fell within the range # x ! " x , x + " x % . Note that ~95% of the measured values are $ & expected to fall within # x ! 2" x , x + 2" x % and ~99% of the measured values $ & within # x ! 3" x , x + 3" x % . $ & 1.4 Additional Resources • • • • • • • John R. Taylor, An introduction to Error Analysis, 2nd edition, 1997, University Science Books, Sausalito, CA. http://www.chem.sc.edu/faculty/morgan/resources/sigfigs/index.html http://www.wellesley.edu/Chemistry/stats/sigfig2.html http://www.av8n.com/physics/uncertainty.htm http://en.wikipedia.org/wiki/Significant_figures http://en.wikipedia.org/wiki/Significance_arithmetic http://en.wikipedia.org/wiki/Rounding Marco Ceruso, The C Research Lab, © 2009-2012