Tutorial: How To Evaluate A Raman Map With Origin Pro 9.0
Tutorial: How To Evaluate A Raman Map With Origin Pro 9.0
Tutorial: How To Evaluate A Raman Map With Origin Pro 9.0
Niclas Mller
10m
Niclas Mller
at Value, write a description at Enter variable name and click add. Do this to add the
x and y coordinate to the bottom window until it looks the same as in the picture
below.
Click Next to get to the dialog window Import Wizard Data Columns and make
sure that 1,000.00 is chosen as Numeric Separator. Then click Finish.
To fit the spectrum click on the column label B(Y) so that this column is marked. Now
choose AnalysisFittingNonlinear Curve FitOpen Dialog. Lets create a new
category (In the dialog box choose Category<New>) and name it Graphene.
Write as a function name G_2D_peak_fitting and choose Function Model Explicit
and Function Type Expression. We will only fit the G- and 2D-peak of the
spectrum for simplicity. If you want to evaluate the map more accurately you can fit
more peaks in the spectrum. Click Next and write the same parameters as in the
picture below. The abbreviations stand for y0 = Baseline, x = position of peak, A =
area of peak and w = width of peak.
Niclas Mller
Click Next and fill in all the information as shown in the picture below. The
Function Body should be y0 + (2*A_G/PI)*(w_G/(4*(x-x_G)^2 + (w_G)^2))+
(2*A_2D/PI)*(w_2D/(4*(x-x_2D)^2 + (w_2D)^2)) which is a fit of the spectrum with
two Lorentz peaks.
Click Next and choose Always run Initialization Code before Fitting and Use Origin
C.
Click Next to set the upper and lower bounds of the parameters as shown in the
picture below.
Niclas Mller
These are the information we need for creating the Raman map. To list the fitting
results of all the spectra later in one table we have to create a result sheet in which
all the results of this one fit are listed in one line. Right click into an empty area if the
workbook and click Add New Sheet. Name the new sheet Results, create columns
and label them as shown in the picture below. You can also add a column, which is
named Fit Status. The x and y coordinates have units in m, because the step width
when recording the Raman map was 1m in x and y direction. If this is not the case
you can change the coordinate values with Set Column Values.
Niclas Mller
Now the values from the sheet FitNL1 have to be copied into the result sheet. Do this
just by right clicking on the value and choosing copy. When pasting the value choose
Paste Link, which is necessary because the result sheet is used as a template later.
The peaks height can be calculated from the width and area with the formula
h_G=2*A_G/(PI*w_G). Right click on the column label D(Y) and choose Set Column
Values. One can type the formula into the window as shown in the picture below.
Make sure that Recalculate is set to Auto.
Do the same for the value of h_2D. Also use Set Column Values to calculate the
2D/G height ratio.
To insert the coordinates from the file name right click on the cell and choose Insert
Variable. Then click on the + sign beside USER.VARIABLES and the two coordinates
x and y will appear. When you insert them make sure that Insert as link is chosen.
The result sheet should now look like in the picture below.
Finally click File Save Workbook As Analysis Template and choose for example
G_2D_intensity_mapping.ogw as a file name. You should also save the project for
making changes later, if necessary.
Niclas Mller
Niclas Mller
Copy the values from the Excel worksheet into the matrix in Origin. You will see that
the value at coordinates x=1, y=1 is missing. Copy the correct value from the result
sheet into this cell. This corresponds to x=0, y=0 in the result sheet.
Plot the data in the matrix by marking all the values (click on the top, left cell) and
click Plot Contour Color Fill. If you want to see every pixel of the map, to get
more accurate information double click on the graph and choose Fill to Grid Lines. In
this case it is instructive to hide the contour lines (in the window Plot Details Plot
Properties click on the label Line, deselect Show Lines Show on Major Levels
Only and choose Hide All). Further increase the number of color levels to get more
information out of the map by changing the properties in the Plot Details Plot
Properties window. By right clicking on the map and choosing Axis make sure that all
the pixels are fully plotted (the pixels at the edges are usually not fully displayed).
Right click in the white area above the plot and choose Layer Management to resize
the map such that the aspect ratio is correct. Finally change the labels and add ticks
to all the edges and your map should look similar to the one shown in the picture
below.