## Computer Science-AW371 Online Services

How Can We Plot Data Effectively?

Scientists frequently need to be able to do multiple calculations with data and then graph that

data for analysis and interpretation. Spreadsheet programs, such as Microsoft Excel, are frequently used for this process. For this exercise we are assuming the use of MS Excel spreadsheet that is available on all campus computers and comes with MS Office.1 Other programs may be used for lab reports if you have a preference.

This exercise is intended to help you

• Do some basic calculations using a spread sheet

• Graph and fit the data using linear least squares analysis (Trendline in Excel)

• Understand possible uses and problems with equation extrapolation

• Use a spreadsheet to calculate curves including variables or parameters that can be

modified to see how the curve changes

• The specific example will look at the effects of molar mass and temperature on

• molecular speed, which will be useful in understanding ideal gas behavior.

• Transfer that information to MS Word for report writing.

Your answers and results should be recorded on the worksheet (separate file). The worksheet with the graphs attached will be handed in to your GTA in paper form by the deadline to be announced. Save frequently. If using a campus computer be sure to save to a secure back up drive, USB drive, or email the files to yourself. If you save it to a campus computer it may be deleted when you log off.

The instructions below in boldface are the steps that require an answer on the worksheets. This experiment is presented with the instructions for Microsoft Excel (2010 Windows, 2011 Mac)2 but you can use any spreadsheet/plotting program that will meet the output requirements. Excel is very powerful and generally available. Knowledge of Excel is required for many jobs; however, there are some programs better suited to scientific analysis that you are welcome to use.

As with all experiments in the course, this experiment is to be your own work, not worked on with other students. We are available and other resources to get help with Excel are

listed below.

Help with Excel

• As a WSU student you have access to a wide range of Atomic Learning videos and

• training. Go to Wings and click the resources tab. Under CaTS click on Atomic

• Learning for WSU. You have to log into the Atomic Learning with your w# then select

• the program of interest for example Excel 2013 for Windows and the topic such as Chart

• Training. Many other programs are available on that site.

• Online Excel Help though the programs help button.

1 Excel can be purchased as a student if you want and the Helpdesk in basement will load it for you I think. You don’t need to purchase it as most campus computers have it.

2 Campus computers or new computers may have Windows 2013 Excel which has some significant differences. See Atomic Learning.

You can also get help during the GTA’s or my office hours. 3

Warning: One “features” of MS Office & Excel is that the icons/buttons visible in the ruler disappear if the window is smaller. If you don’t see a button try enlarging your window or using menus.

1. Simple Plotting

Plot the following data by hand on the worksheet graph.

X 1.5 3.0 4.5 6.0 7.5

Y 65 73 84 91 95

What is “wrong” with this plot? How would you improve it?

2. Linear Plots in Excel

Let’s move to Excel and graph the data above. Spreadsheets use column and row labels to reference a cell for example B2 (or $B$2 if necessary)4for use in equations.

a) Insert the x values in the A column and the y values in the B column for step 1 above.

b) Select the ten cells, and click on the “Insert” then Chart tab on the bar above the cells or

select the chart tab on the ruler

c) Select the “scatter plot,” and then choose the icon with data points not connected by lines.

d) Now, let’s add some more useful (and necessary) information on this plot. Let’s pretend that the x-axis data is “Hours studied per week” and that the y-axis data is “Chemistry grade.” The x-axis is the independent variable and the y-axis is the dependent variable.

Presumably, the dependent variable is dependent upon the independent variable and this is why they get these names. The data/plot seems reasonable: one might expect a relationship between time spent studying and one’s grade. (Do you agree?)Adding Labels and Title: Next, we wish to add labels to each axis. An axis label should have a name, and some indication (if possible) of the dimension of the data. Thus, the x-axis should get a label such as “Study time per week, in hours” and the y-axis might read

“Chemistry Score, percent of total possible points.” The title for the plot could be

“Chemistry Grade as a function of Study Time.” To insert these labels and title, begin by

clicking on the “Design” or “Chart Layouts” (Mac) tab of the tool bar. On the tool bar

3 Office hours will be posted as soon as available.

4 As we’ll see when doing things like “fill down” the reference with the “$” will not change while those without the $ will change. $B2 the column would not change but the row will, B$2 the row would not change but column will, $B$2 will always reference the same cell.

you should now see design choices for your chart in the area (panel) called “Chart Layouts” Select the left choice. Now click on the axes labels and chart title, in turn, and type in the suggested labels. Delete the legend at the right of the chart that says “Series 1”. To do this, click on Series 1 and then hit the

For example it often puts lines across the graph. These can be selected and deleted.

Later we’ll learn more ways to make the graph look better for reports.

e) To minimize computer-generated anguish, save your Excel document giving it a useful name so that you can easily find it later. The “Save as” option is located in the “File” tab in the upper left-hand corner of the screen. Save as an “Excel Workbook” and give the document a clearly identifiable name.

f) In science, we find many relationships between variables (or parameters) that are linear.That is, a linear relationship produces straight line when the data are plotted. Is this data set linear? A quick visual examination might suggest that is it, at least roughly. One way to test this is to add a Trend line to your plot. Right-click on one of the data points and select Add Trend line. Use a linear type, and in options select Display equation on chart

and Display R-squared value on chart. The equation will be a straight-line equation in the tradition form, y = mx + b, where m is the slope and b is the y-intercept. The R2 value is a measure of the “straightness” of the line. A value of 1.0 shows perfectly linear data, a value >0.9 shows pretty good linearity, and a value of 0 would be a random collection of x and y values with no apparent relationship to each other. You can click-and-drag

these equations to a convenient location on the chart.

Write down the equation and the R2 value on the worksheet.

g) You will note that Excel has already conveniently selected ranges for the x- and y-axes.But, you can make them different, or better. You might be interested in how this line will extend if you study for ten hours. Just to see that area of the plot better, change the x-axis scale by right-clicking on the “8”, selecting, “Format Axis …” and changing the x-axis maximum to a fixed value of 10. Similarly, set the minimum value of the plot on the yaxis

to be 40. By doing this, you can use more of the plot area.While we’re here, select “Ticks” and set to inside for both axis. OK

h) Once you have the y = mx + b equation, you can use this to calculate more data. (This assumes that the linear relationship is a valid one. We’ll see about that in a minute.) In cell A10 type “x” and in cell B10 type “y.” Let’s first enter a “1” in cell A11. In B11 type the right-hand side of the straight-line equation: “= 5.2 * A11 + 58.2”.5 This should produce a value of 63.4 in B11. Using these cells, you can calculate the expected grade for any number of hours that you might study (again assuming the relationship is linear and valid).

5 Computers are “dumb” and require that formulas be entered exactly. It’s good to check each equation at least once with a calculator.

(Answers on worksheet)

What grade do you predict for 0.5 hours of studying?

What grade do you predict for “–2.0 hours” of studying?

Does this answer make sense? Why or why not? What does that say about how

valid this equation is, or what limits we should set on using this equation?

What grade do you predict for 10 hours of studying?

Does this make sense? Why or why not?

i) Now let’s reverse this process. Can we set up Excel to calculate the number of hours

required to get a certain grade? In cell A13 type “y” and in cell B13 type “x”. Now,

rearrange the straight-line equation so that the x variable is isolated (a bit of algebra).

Write down this re-arranged equation: x =

Enter this equation in cell B14. Calculate the number of hours that are required to study

to get 100. Enter 100 in cell A14.

What number of hours is required to get a 100? ___________

What number of hours is required to get an 80? ___________

j) Based on the calculations that you’ve done, and looking carefully at the plot from 2c above, would you judge that the plot is a linear relationship? Explain why or why not. Error Bars: (Excel 2013. Google “excel error bars 2013” select the support.office or use Atomic Learning through Pilot)

k) One final touch. We know that all data collected in a laboratory (or in the field…) has uncertainty associated with it. Let’s assume that the data collected for the plot above was done in the following fashion. In a large class of students a teacher found five students each who had studied (as they reported, at least) 1.5, 3.0, 4.5, 6.0 and 7.5 hours/week.

The teacher then averaged the grades of each cluster of five students to get the average scored that we previously plotted. But, now that we know that each score is really an average, it would be good to indicate that on the plot somehow. Let’s assume that we calculate the standard deviation for the scores and it is ±5. We’ll call this the uncertainty

in the y data. Similarly, we should recognize that the students were probably not measuring time really carefully, so let’s assume that there is an uncertainty of 0.2 hours in all of the x values. Go back to the Excel plot, right-click on one of the data points and select6 “Format data series…”. Select error bars and enter both the x and y error bars by selecting the button

6This method has been tested on Mac 2011 version and is expected to work on Windows. If not the previous Windows 2010 instructions were

select “Layout” on the top bar and then in the “Analysis” part of the displayed tool bar click on “Error Bars” and select “More Error Bars

Options…”.6 Insert a value of “5” for the “Fixed value” for the Vertical Error Bars and then click “close” button. Right-click on a horizontal error bar, select “Format Error Bars” and then enter a value of “0.2” for the horizontal “Fixed Value”. Click on the “close” button.

5 at the top. Insert a value of “5” for the “Fixed value” for the Vertical Error Bars and then enter a value of “0.2” for the horizontal “Fixed Value”. Click on the “close” button.

Now you have a pretty good plot.

**Formatting**

While were here we can make the data points look less “goofy”. Again right click “Format data series…”. Investigate the options. Then select “marker style”, o, size 4.(size choice will depend on how big you print the graph. Another “feature” is no choice for a solid dot so we need to fill both the maker line and maker fill. Select marker-line,

black, then maker fill – black, Ok Now you should have a dot. Compare how this looks with the default graph.

l) Data tables and plots can be copied from Excel to Word. Open Word, go back to Excel,right-click on the white area inside the plot boundaries, and strike “Ctrl-C” (for copy. (or Command C on the Mac)) Go back to Word and strike “Ctrl-V” (for paste).7 Do the same with the data table. Now you have your data table and plot in Word (just as you

might wish for a lab report.) Save your documents.

3. Non-linear Plots Using Excel

Let’s also look at some data that clearly isn’t linear, how the vapor pressure of water varies as

temperature varies.

a) Plot the data below. In this case, it’s pretty clear that the data isn’t linear. We can still insert a Trendline and see if we can plot a nice curve for this.

In this case, let’s try an Exponential Trendline, and insert the line, the equation and the R2 value on the plot. Title this “Vapor Pressure of Water as a Function of Temperature” and label the axes as “Temperature, in °C” and Vapor Pressure, in mm Hg”. [Hint: Typing the degree symbol,°, is not obvious. Learn how to make the ° symbol on your

computer. On Macs it’s the option-shift-8 key which is easy to remember as the * looks sort of like the ° . Write the equation that is generated

b) As above in Step 2h, construct two cells in the spreadsheet that let you enter a Temperature and calculate a

Vapor Pressure. (To enter an equation using “e” with an exponent, write “EXP(x)”.)7 Commands of this type are also available under the menus such as

Temp

(°C)

VP

mmHg

0 4.6

10 9.2

20 17.5

30 31.8

40 55.3

6

c) Right-click on the exponential line, (NOT on a data point) and select “Format Trendline.” You can use the “forecast” feature in “options” to extend the plot. Extend this forward by 60 units (to 100 °C) and take a look at the plot.

Estimate the VP at 100 °C from this (units will be in mmHg).

Since the boiling point of water at 1 atm is 100°C. That means its vapor pressure is 1 atm or 760.0 mmHg.

Does this estimate agree with the experimental Vapor Pressure water at 100 °C?

What does this tell you about the validity of the exponential function’s ability to accur

ately describe this curve when extrapolated? (Note: there surely is an equation that describes the vapor pressure of a liquid as a function of temperature; we have not used it here.)Save your spreadsheet again and often.

d) Let’s look at another non-linear plot. Maxwell-Boltzmann plots describe the range of molecular velocities in a gas at a given temperature. We can set up an Excel calculation to mimic (simplify) the Maxwell-Boltzmann distribution plot. The variables that we wish to use are the molar mass (MM) of the gas and the temperature (T). For the convenience of plotting we will also set up a variable that can control the increments of data points along the x- axis.

In a new worksheet (click on “Sheet 2” at the bottom of your current worksheet or +) enter the following cells as shown below. The bolded numbers/letters refer to the cell positions. (MM = molar mass)

A B

1 MM 28

2 Temp 300

3 Increment 1

4

5 X Y

6 0 =A6*EXP(-$B$1*A6*A6/$B$2)

7 =A6+$B$3

The equation in cell B6 is of the form: y = x*e(-(MM)*x*x/T) where y represents the fraction of molecules at aparticular velocity x.Next we wish to copy the contents of B6 into B7. An easy way to do this is to click on cell B6, and then clickand- drag on the black square at the bottom right of the cell to drag it to B7. You will see values (not equations) in cells B6 and B7 but when you select the cell you will see the equation at the top of the spreadsheet.

Look at the equations in B6 and B7. In cell B6, the value of cell A6 is used, but in B7 the value in cell A7 is used. However, the variables $B$1 and $B$2 did not change. The $ sign “holds” a particular cell value when copying rather than increasing relative cell positions.8 Now we wish to copy cells A7 and B7 “down” to replicate them. Select both A7 and B7, and click-and-drag on the black square at the lower right to copy these cells to all cells down to A30 and B30. [Alternatively, you can select the group of cells A7 and B7 through A30 and B30, so they are highlighted. Click on the “Home” tab at the top of the window and select in the “Editing” panel (on the right hand side of the tool bar) the fill icon (Arrow in a box pointing down) and then choose “Down” to accomplish the same replication process.] This will give you lots of data points, incremented by the value in cell B3.

You can change this increment later on if you wish. 8 An easy way to the the $’s is type cmd-T after type the reference (or ctrl-T)

Now prepare a scatter plot of the data in cells A6-B30 (include the 0,0 point). This should look like one of the Maxwell-Boltzmann curves shown below. The changing shape of these curves is illustrated below. For convenience, change the y-axis format so that the maximum value is 4.0. To do this, right-click on the yaxis values, select Format axis, and change the maximum value to fixed and 4.0. Insert a title for this plot such as “Maxwell-Boltzmann Plot for N2 at 300 K”. All five plots should fit on the 0-4 scale if done right

Yours will not have the line but will be a series of dots. You can change this by selecting chart>scatter > smooth line no points. Take a few moments to fix up the looks of the graph as before. Make sure the caption matches the MM and temp. used.

Save a copy of this plot in your Word document. In this instance since you will be modifying the plot in the next step and the modification will also change in the Word document (being a “live link”) you should instead copy using the following protocol: (one curve for each set of variables) Select the plot in Excel and copy to the clipboard (Ctrl-C)

In Word, from the Paste menu at the top left, pull down the menu and Select Paste Special, and Select the first option: Microsoft Office Excel Chart Object

This will insert the plot (and then when you make changes to the plot in Excel they will NOT be changed in the Word document. Confirm that when you change the molar mass the graph in WORD does not change)9 s

Note: for the steps below, change the title on the plot each time to change the variables. Copy each new plot into the Word document.

e) Change the value of the MM from 28 (N2) to 16 (CH4) to 4 (He). What happens to the shape of molecular velocities? At a given temperature, which molecule is, on average, moving faster: the lighter one or the heavy one?

f) Now, keep the MM = 28, but change the change the Temperature from 300, to 500, and then to 700. What happens to the shape of molecular velocities? Are the molecules moving faster or slower as the temperature increases?

4. Finally, to get credit for this exercise, turn in the worksheet (separate file) and a Word document that contains the plots for Parts 2, and 3 to your GTA. See the accompanying worksheet file. This should be formatted nicely with:

The data table and the vapor pressure graph (Part 2), and the five Maxwell-Boltzmann graphs (Part 3). All tables and graphs should have appropriately descriptive captions.

How Can We Plot Data Effectively?

Homework Lab Worksheet

Name __________________________ , Section # TA

This worksheet with graphs attached needs be turned in to the GTA of your lab section

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1. Simple Plotting – plot data given in Excel lab instructions

What is “wrong” with this plot? How would you improve it?

2. Linear Plots in Excel

f) Write down the equation ____________________________ and the R2 value ___________.

h) What grade do you predict for 0.5 hours of studying? ______________

What grade do you predict for “–2.0 hours” of studying? ______________

Does this answer make sense? Why or why not? What does that say about how valid this equation is, or what limits we should set on using this equation?

What grade do you predict for 10 hours of studying? _____________

Does this make sense? Why or why not?

i) Write down this re-arranged equation: x =

What number of hours is required to get a 100? ___________

What number of hours is required to get an 80? ___________

j) Based on the calculations that you’ve done, and looking carefully at the plot, would you judge that the plot is a linear relationship? Explain why or why not.

3. Non-linear Plots Using Excel

a) Write the equation that is generated ________________________________

c) Estimate the VP at 100 °C from this equation. _________

Does this agree with the experimental Vapor Pressure at 100 °C of 760 mm Hg? ______

What does this tell you about the validity of the exponential function’s ability to accurately describe this curve when extrapolated?

d) Maxwell- Boltzmann like graphs. Compare how the distribution (shape) of the graphs change as the mass is changed at constant temperature and how they change with temperature for the same mass.

At a given temperature, which molecules are on average moving faster: the light ones or the heavy ones?

What happens to the profile of molecular velocities? Are the molecules moving faster or slower as the temperature increases?

4. Prepare and attach a Word document to this worksheet as described in the handout.

**Finding Good literature sources.**

General Chemistry I 1210L.

In this course we willwork with you to improve your writing of journal article type reports (JARs). You will start by focusing just part of the report for two partial reports and write two full reports.

In order to write well, we need to understand the topic and have references that support our statements. For these JARs, we will require at least two peer-reviewedor reliable sources in addition to the laboratory guide to promote this process and improve your lab reports. One of these can be the textbook. More information (sources) generally makes for a better lab report.

References are necessary to provide background theory, to evaluate the quality of the experimental data, compare data to literature values, and to support conclusions. As you do the assignment, keep in mind that you will need to search for literature sources for your four JARs so this is practice for later.

The goals of this assignment are to help you learn

• What is a journal article and how is it different from other writing?

• Howto find peer-reviewed or reliable sources. (Where do we start?)

• How to evaluate a source (the CRAAP test).

• How to get the full article once you find the reference (usually through the WSU library system).

• Correctly cite the references.

• Obtain references that may be useful on a future journal article report, in particular the “Spectroscopy and Atomic Spectra”

What is a “good” literature source? See the CRAAP test for evaluating this (see Pilot).

• Currency

• Relevance

• Authority

• Accuracy

• Purpose

• One of the hardest things for students is to find relevant information for an experiment that they can understand.

• Most of the experiments in general chemistry are well established; therefore, readable, useful information will likely not be found in recent research articles. You will most likely be looking for educational or non-expert materials.

Where do we start? (in general)

1. What do you want to know? What for? What level of detail?

a. “I just need some dumb reference to meet the 3 reference rule!”

b. “I really don’t have much to say about the theory of this experiment. In fact I don’t understand it. So, to write a good introduction I need a better underlying theory with references.”

c. “How does my data compare to the expected value? Did we really screw up that badly?”

d. “When only have 5 colored lines but the table has hundreds. Which is which?”

2. Once we have the question or topic, what are the search keywords we need?

a. This takes some trial and error. Too many results, too few results, useless results. Ask your Librarian.

b. Combination of keywords. Using OR, AND and wildcards *

“lab report” OR “laboratory report”(Note the quotes to search for phrases)

c. Using truncation, such as lab* (to search for lab, labs, and laboratory) or writ* (to search for write, writing, and written)

d. Phrase searching (quotation marks) and truncation searching work in both QuickSearch and Google Scholar.

3. Where and how to search? – Start on our classes’ library search page. Quick-search, Google Scholar, see the tips provided on that page. It is best to avoid generic “Google” if you want reliable information.

4. How to pick a good source?

**Literature search assignment**

Topic 1 : How do I write a successful or top quality chemistry JAR type lab report (or actual journal article)?Find at least one reliable source on writing successful chemistry JAR type lab reports or articles (not ones we’ve provided). Ideally this would be one that would be useful to you.

Motivation: Although we have provided a number of resources and instructions on writing journal article reports it may be useful to find some of your own. Also looking at some real, readable journal articles might help with understanding the goal of a JAR.

Topic 2: Find at least one reliable source for the wavelengths of Argon in the visible spectrum.

Motivation:

In a few weeks we will be measuring the spectral lines of several atoms in low pressure gas discharge tubes. A common problem with spectroscopy is assigning wavelengths to the lines detected and comparing the measured wavelength to the literature values. Read the “Spectroscopy and Atomic Spectra” experiment (#43, week 4) to get started.

In order to do this comparison we need two things. One, the literature values for Argon transitions in the visible spectrum. The problem is that the tables of lines often include far more lines than we can see with our detector (your eye). Two, how do we assign the ones we see to the values in the literature? We need some method of identify which of the lines are the ones we see.

We will be using low pressure discharge tubes so that is the type of spectra you’ll be looking for. In some tables Ar neutral is called Ar I (what we’re looking for). Ar II would be Ar+.

For each topic: (See worksheet.)

1) Keep track of successful search terms or keywords. Record in lab notebook.

2) Obtain access to the full text

3) Print out at least one page to attach to the worksheet assignment indicating that the full text was obtained.

4) Get the proper citation as would be used in the reference section.

5) Perform a CRAAP test on the Argon reference you selected.

Type answers on this worksheet, print out, and attach one page from topic 1 and one page from topic 2. We don’t need the whole article but it needs to demonstrate that the full text was obtained.

Topic 1. Find at least one reliable source on writing successful chemistry JAR type lab reports (not ones we’ve provided). Ideally this would be one that would be useful to you.

• Successful keywords and combinations used. (Also in your lab notebook)

• Citation(s) in proper APA, MLA, or ACS format. At least one but you can include more if you want.

• Why do you trust this source?

• In what way will this be useful for your Journal article report? (one or two sentences)

Topic 2. Find at least one reliable source for the wavelengths of Argon in the visible spectrum.

• Successful keywords and combinations used. (Also in your lab notebook)

• Citation(s) in proper APA, MLA, or ACS format. At least one but you can include more if you want.

• Why do you trust this source? Attach the CRAAP test for this reference

• In what way will this be useful for your Journal article report? (one or two sentences)

What color does an argon light look like?

• How does a neon light compare to an argon light.

1. Attach one or more pages from the article for topic 1.

2. Attach one or more pages from the article for topic 2.

3. Attach the CRAAP test for topic 2.

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