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    SSCK 1203 Data Analysis 090214 Students 01

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    Syahimi Sazini
    This document discusses data analysis in analytical chemistry. It covers topics such as errors in chemical analysis, descriptive statistics, precision vs. accuracy, types of errors including gross, random and systematic errors. Sources of errors like instrument, method and personal errors are described. The document also discusses significant figures, calibration curves, and validation methods. The goal of data analysis and statistics is to minimize errors and calculate their sizes to objectively evaluate experimental data.

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    SSCK 1203 Data Analysis 090214 Students 01

    Uploaded by

    Syahimi Sazini
    74 views33 pages
    This document discusses data analysis in analytical chemistry. It covers topics such as errors in chemical analysis, descriptive statistics, precision vs. accuracy, types of errors including gross, random and systematic errors. Sources of errors like instrument, method and personal errors are described. The document also discusses significant figures, calibration curves, and validation methods. The goal of data analysis and statistics is to minimize errors and calculate their sizes to objectively evaluate experimental data.

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    Ssck 1203 Data Analysis 090214 Students 01

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    This document discusses data analysis in analytical chemistry. It covers topics such as errors in chemical analysis, descriptive statistics, precision vs. accuracy, types of errors including gross, random and systematic errors. Sources of errors like instrument, method and personal errors are described. The document also discusses significant figures, calibration curves, and validation methods. The goal of data analysis and statistics is to minimize errors and calculate their sizes to objectively evaluate experimental data.

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    74 views33 pages

    SSCK 1203 Data Analysis 090214 Students 01

    Uploaded by

    Syahimi Sazini
    This document discusses data analysis in analytical chemistry. It covers topics such as errors in chemical analysis, descriptive statistics, precision vs. accuracy, types of errors including gross, random and systematic errors. Sources of errors like instrument, method and personal errors are described. The document also discusses significant figures, calibration curves, and validation methods. The goal of data analysis and statistics is to minimize errors and calculate their sizes to objectively evaluate experimental data.

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    DATA ANALYSIS

    Assoc. Prof. Dr. Azli Sulaiman Department of Chemistry Universiti Teknologi Malaysia 81310 UTM Johor Bahru Johor Darul Takzim [email protected]

    LECTURE OUTLINES

    Errors in Chemical Analysis Descriptive Statistics Precision and Accuracy Types of Error Significant Figures Statistics in Data Evaluation Calibration Curve Method of Validation

    Why do we need statistics in analytical chemistry?

    Scientists need a standard format to communicate significance of experimental numerical data. Objective mathematical data analysis methods needed to get the most information from finite data sets. To provide a basis for optimal experimental design.

    ERRORS IN CHEMICAL ANALYSIS

    It is impossible to perform a chemical analysis that is error free or without uncertainty. Our goals are to minimize errors and to calculate the size of the errors. Normal phrases in describing results of an analysis pretty sure very sure most likely improbable Replaced by using mathematical statistical tests.

    ERRORS IN CHEMICAL ANALYSIS

    Is there such a thing as ERROR FREE ANALYSIS? - Impossible to eliminate errors. - Can only be minimized. - Can only be approximated to an acceptable precision.

    TO OVERCOME ERRORS

    Carry out replicate measurements. Analyse accurately known standards (SRM). Perform statistical tests on data. How reliable are our data? Data of unknown quality are useless.

    DESCRIPTIVE STATISTICS

    Mean/Average Median Range Standard Deviation, s or Relative Standard Deviation (RSD) Varian, V

    MEAN/AVERAGE

    Sum of measurements divided by the number of measurements

    xi
    x =
    i=1

    Where xi = individual values of x N = number of replicate measurements

    MEDIAN

    Data in the middle if the number is odd, arranged in ascending order. The average of two data in the middle if the number is even arranged in ascending order.

    RANGE

    The different between the highest and lowest result.

    STANDARD DEVIATION

    Measure of the precision of a population of data. Small Sample Size

    s=

    (x
    i

    x)

    N 1
    2 ( ) x x i i

    Population

    RELATIVE STANDARD DEVIATION

    Standard deviation divided by the mean

    VARIAN

    The square of standard deviation. For sample, For population, V = s2 V = 2

    EXAMPLE 1
    10.08 10.11 10.09 10.10 10.12
    For the given data above, calculate: Mean/Average Median Range Standard Deviation Relative Standard Deviation (RSD) Varian, V

    PRECISION

    Relates to reproducibility or repeatability of a result. How similar are values obtained in exactly the same way? Useful for measuring deviation from the mean.

    d i = xi x

    ACCURACY

    Measurement of agreement between experimental mean and true value (which may not be known!).

    ACCURACY vs PRECISION

    ACCURACY and PRECISION


    SMART 10.00 10.00 DATA 10.00 10.00 10.00 Student A 10.10 10.08 10.09 10.07 10.08 Student B 9.65 9.75 9.78 10.07 10.24 Student C 9.97 9.98 10.02 10.03 10.05 Student D 9.80 9.89 10.01 10.13 10.22

    MEAN STD DEV

    10.00 0.00

    10.10 0.01

    9.90 0.25

    10.01 0.03

    10.01 0.17

    TYPES OF ERROR

    Gross Error Random Error Systematic Error

    GROSS ERROR

    Serious but very seldom occur in analysis. Usually obvious - give outlier readings. Detectable by carrying out sufficient replicate measurements. Experiments must be repeated. Examples: - Instrument faulty - Contaminate reagent - Accidentally discarding crucial sample

    RANDOM ERROR

    Indeterminate error. Data scattered approximately symmetrically about a mean value. Affects precision, can only be controlled. Dealt with statistically. Cannot eliminate but minimise. Examples: - Physical and chemical variables

    SYSTEMATIC ERROR
    Determinate error. Readings all too high or too low. Can either be +ve or ve. Affects accuracy. Determinable and that presumably can be either avoided or corrected. Several possible sources. Causing bias in technique.

    SOURCES OF SYSTEMATIC ERROR

    Instrument Error Method Error Personal Error

    INSTRUMENT ERROR

    Need frequent calibration - for apparatus such as volumetric flasks, burettes etc. - for electronic devices such as balances, spectrometers.

    Examples:

    Temperature changes Fluctuation in power supply Worn out

    METHOD ERROR

    Due to inadequacies in physical or chemical behaviour of reagents or reactions (e.g. slow or incomplete reactions). Difficult to detect and the most serious systematic error.

    Example: Small excess of reagent required causing an indicator to undergo colour change that signal the completion of a reaction.

    PERSONAL ERROR

    Sources: Physical handicap, prejudice, not competence.

    Examples: Insensitivity to colour changes Tendency to estimate scale readings to improve precision Preconceived idea of true value.

    MINIMIZE SYSTEMATIC ERROR

    Instrument errors by careful recalibration and good maintenance of equipment. Method errors - most difficult. True value may not be known. Three approaches to minimise: - Analysis of certified standards (SRM) - Use 2 or more independent methods - Analysis of blanks Personal errors by care and self-discipline.

    SIGNIFICANT FIGURES

    Minimum number of digits written in scientific notation without a loss in accuracy. The digits in measured quantity, including all digits known exactly and one digit (the last) whose quantity is uncertain.

    SIGNIFICANT FIGURES
    Rules for the determining the number of significant figures: Disregard all initial zeros. Disregard all final zeros unless they follow a decimal point. All remaining digits, including zeros between nonzero digits, are significant. Rules for counting significant figures:

    Initial zeros or that set the decimal point are not significant. 0.00004213 (4 SF) and 470,000 (2 SF)

    Zero is significant only when: - It occurs in the middle of a number 401 6.0015 - 3 significant figures - 5 significant figures

    - It is the last number to the right of the decimal point. 3.00 6.00 102 0.0500 - 3 significant figures - 3 significant figures - 3 significant figures

    SIGNIFICANT FIGURES IN ARITHMETIC

    Addition-Subtraction Use the same number of decimal places as the number with the fewest decimal places. 12.2 + 0.365 + 1.04 = 13.605 = 13.6 (1 dp) (3 dp) (2 dp) (1 dp)

    Multiplication - Division Use the same number of digits as the number with the fewest number of digits.

    ROUNDING OFF
    Rules of rounding off

    Do not retain any digit beyond the first uncertain one. If the digit beyond the uncertain one is less than 5, leave the figure as it is. If it is equal or greater than 6, add one to the last retained digit. If the next digit is equal to 5, round up to the nearest even digit (2,4,6,8,0). This will prevent us from introducing a bias by always rounding up or down. Example: rounding 12.450 to nearest tenth gives 12.4 but rounding 12.550 to the nearest tenth gives 12.6.

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