PeakSimple Basic Tutorial
Version 4.17, September 2012
Installing PeakSimple from the CD or USB Installing PeakSimple from software download:
thumb drive:
A. Start the Windows operating system and use an
A. Start the Windows operating system in use online browser to access www.srigc.com.
on your computer. (Windows XP, Vista, or 7)
B. From the menu on the left hand side of the
B. Insert the CD or USB thumb drive into the screen select Download PeakSimple and then
computer. download the latest version. Windows XP and
some Vista computers need to download the 32-
C. Open My Computer and open either bit version, other Vista computers and Windows
the CD or thumb drive. 7 need to download the 64-bit version. If you are
unsure, right-click on My Computer then select
D. Double-click on the Setup.exe file. Make Properties in order to determine what bit operat-
sure to select the right version of PeakSim- ing system you are using.
ple to install (32– or 64-bit). Windows XP
and some Vista computers need to install C. Save the file to a temporary folder and double-
the 32-bit version, other Vista computers and click on the setup file when it is finished
Windows 7 need to install the 64-bit version. downloading, or, just click Run to install Peak-
If you are unsure, right-click on My Com- Simple without saving the setup file.
puter then select Properties in order to de-
termine what bit operating system you are D. Follow the onscreen instructions provided by the
using. installation wizard.
E. To complete installation follow the onscreen E. For instructions on loading the driver, please
instructions provided by the installation wiz- refer to the Quick Start Document located in the
ard. PeakSimple folder or on the www.srigc.com
website.
F. For instructions on loading the driver, please
refer to the Quick Start Documents located
in the PeakSimple folder or on the
www.srigc.com website.
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PeakSimple Basic Tutorial
Version 4.17, September 2012
Launching PeakSimple
1. Double-click on the Desktop Peak-
Simple icon to launch PeakSimple.
2. The data acquisition system will at-
tempt to initiate communications be-
tween the computer and the data
system.
3. If PeakSimple comes up with an
error message stating “Acquisition
system is not functioning” with a
countdown timer, it is indicating
that there is a communication prob-
lem between the computer and the
data system or that the data sys-
tem and the hardware is not con-
nected. Click OK to continue work-
ing with PeakSimple.
4. The first time PeakSimple connects
to a GC or data system open the
Edit menu and select Overall to get
to the Overall Controls Screen.
5. Enter the proper Board type (202,
203, 302, or 333) and COM Port/
USB device number (Found on data
system or GC). Select OK and Peak-
Simple will establish communications
with the data system.
6. Most of the commands and options
in PeakSimple are equipped with tool
tips that will automatically pop up to
display useful information when the
mouse cursor is held over a com-
mand. To turn off the tool
tips deselect the tool tips
option in the Help menu.
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PeakSimple Basic Tutorial
Version 4.17, September 2012
Opening a PeakSimple Data File
1. To open a PeakSimple data file or
chromatogram, begin by selecting File
in the PeakSimple menu bar and then
choose Open… from the set of op-
tions.
2. The Load Chromatogram File window
is now open. The PeakSimple soft-
ware includes a number of sample
chromatogram data files that can be
opened, displayed, and manipulated.
One file, 602.CHR, will be used
throughout the rest of the tutorial. Se-
lect file 602.CHR from the PeakSim-
ple directory, choose Channel 1 as a
destination channel, and then select
Open to load the file.
Adjusting Display Limits
1. To adjust the display limits of a
chromatogram click on either
the + magnifying glass icon or
the - magnifying glass icon to
the left of the chromatogram.
This will increase or decrease
the limits by a factor of two each
time you click on the icons.
2. After opening chromatogram
602.CHR, practice making the dis-
play limits smaller but the peaks lar-
ger by clicking the + magnifying
glass icon.
3. Practice making the display limits lar-
ger but the peaks smaller by clicking
on the - magnifying glass icon.
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PeakSimple Basic Tutorial
Version 4.17, September 2012
Zooming
1. To zoom in on a specific part of a
PeakSimple chromatogram, click and
hold the left mouse button and drag it
over the desired area.
2. After opening chromatogram
602.CHR hold the left mouse button
and drag it over the base of the tolu-
ene peak. Let go of the mouse button
and there will be a larger view of the
area that was selected.
3. To return to the original display limits
of the chromatogram and unzoom the
area selected press F6 or select the
unzoom icon located in the PeakSim-
ple toolbar at the top of the screen or
right-click and select Unzoom.
Dragging Retention Windows
1. To drag a retention window bar place
the mouse cursor on the bar until a
double sided arrow pops up. Click on
the left mouse button and hold and
then drag the retention window bar to
its desired place.
2. After opening the chromatogram
602.CHR zoom in on the benzene
peak and the smaller peak to its left.
Locate the benzene retention window
bar and drag it over to the smaller un-
named peak to the left of the ben-
zene. Because this is a small peak it
is not immediately recognized.
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PeakSimple Basic Tutorial
Version 4.17, September 2012
3. Right click on the chromatogram over
the unnamed peak and select Inte-
gration from the resulting menu.
4. From the integration window locate
the Area Reject dialogue box, erase
the 100.0 in the box, and add the
number 1.0 to the dialogue box. Click
OK and the integration window will
exit.
5. Press the Enter or Return key on
your keyboard and the smaller peak
will now be recognized as Benzene.
Manual Integration
1. To manually adjust the integration
baseline and peak separation in a
chromatogram use the manual inte-
gration toolbar provided by PeakSim-
ple. To open up the manual integra-
tion toolbar select Edit in the Peak-
Simple menu bar and then click
on the Manual Integration option.
The manual integration toolbar will
now appear to the left of the chro-
matograph.
2. The manual integration toolbar
contains nine types of manual in-
tegration options. Four of the most
commonly used options are None
integration, Drop integration,
Based integration, and Rubber
Band integration.
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PeakSimple Basic Tutorial
Version 4.17, September 2012
3. To make a baseline “ignore” a peak
use the None integration tool. After
opening chromatogram 602.CHR and
the manual integration toolbar, zoom
in on the baseline of the solvent peak
and the smaller unrecognized peak
immediately to its right. Click on the
None integration tool in the manual
integration toolbar with the mouse cur-
sor and then click on the valley be-
tween the two peaks where they meet
the baseline. The area of the small
peak is now added to the solvent
peak.
4. To undo the changes made to a chro-
matogram at any time simply click on
the Undo integration tool in the man-
ual integration toolbar. After selecting
this tool all integration changes made
to the chromatogram will be undone.
5. Click on the Undo tool with your
mouse cursor and select the Drop in-
tegration tool to enable the dropping
of the baseline below the two peaks.
After selecting the Drop tool click
where the valley of the peaks meet
the baseline with the cursor. The
baseline should now be dropped be-
low the base of the peaks and a line
should extend from it to the baseline.
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PeakSimple Basic Tutorial
Version 4.17, September 2012
6. After the manual integration between
the two peaks is dropped use the
Based integration tool to raise the
baseline to the valley between the
peaks. Once the Based integration
tool is selected, click on the valley be-
tween the solvent peak and the
smaller peak to its right with the
mouse cursor. The baseline will now
extend up to meet the valley of the
two peaks.
7. Once again click on the Undo tool in
the manual integration toolbar to re-
move all changes done to the chroma-
togram. Select the Rubber Band inte-
gration tool to manually draw a base-
line. Once the Rubber Band tool is se-
lected take the mouse cursor and click
on a part of the baseline. While hold-
ing down the left mouse button extend
the line to another part of the baseline
further to the right of the starting point
and let go of the mouse button. The
base line will now be drawn according
to the line that was drawn using the
Rubber Band integration tool.
Calibration
1. To turn the raw area of a peak into a
real-world number the peak first
needs to be calibrated. To calibrate
the Toluene peak in chromatogram
602.CHR, open up the file and then
right click using the mouse on the
Toluene peak. After right clicking on
Toluene select Calibrate Toluene
from the resulting menu.
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PeakSimple Basic Tutorial
Version 4.17, September 2012
2. From the Recalibration level window
click on the first level radio button 1
(100.000) and then select OK with
your mouse cursor.
3. After selecting OK from the Recalibra-
tion level menu the Calibration menu
for Toluene will pop up. Check to
make sure the flashing asterisk on the
calibration curve is on level 1 and then
click on the Accept New button to the
right of the window.
4. Once the new data is accepted, click
on the Method button immediately
below the Accept New button. The
Recalibration type window will now
open allowing the user to select a
method of calibration. By default the
calibration type is set at Multiple Line
Segments. Select the Single line
through origin (Ax) radio button and
then click on OK with the mouse cur-
sor.
5. After changing the method of calibra-
tion click on Statistics in the upper
right hand corner of the Calibration
level window. The Calibration statis-
tics window will pop up revealing the
statistics for the calibration of Tolu-
ene. Click OK with the mouse cursor
to close the Calibration statistics win-
dow and then select Close from the
Calibration window to finish calibrating
Toluene.
6. View the calibrated results in the Re-
sults screen by right-clicking on the
chromatogram and selecting Results.
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PeakSimple Basic Tutorial
Version 4.17, September 2012
Overlay
1. To compare two or more chroma-
tograms overlay them using PeakSim-
ple. To overlay two chromatograms first
open chromatogram 602.CHR and then
click on the 2 button in the PeakSimple
toolbar. A second chromatogram chan-
nel is now open in the PeakSimple win-
dow.
2. Once the second channel is open select
File from the PeakSimple menu bar and
then click on Open. The Load chroma-
togram file window will open up display-
ing a list of files to load. Select chroma-
togram FID602.CHR to load and then
select the 2 channel radio button to load
the chromatogram in the second chan-
nel.
3. Once FID602.CHR is open in the sec-
ond channel right click using the mouse
on the first channel and select Channel
Details from the list of options.
4. After the Channel 1 details window ap-
pears on the screen locate the Overlay
data in channel check box and select
it. Look to the dialogue box to the right
of the Overlay data in channel check
box and insert the number 2 in place of
the 1. Click on OK with the mouse cur-
sor to exit the Channel 1 details win-
dow.
5. The chromatogram FID602.CHR is now
in place overlaid on top of chroma-
togram 602.CHR in channel 1. Chroma-
togram 602.CHR is in black while
FID602.CHR is in red.
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PeakSimple Basic Tutorial
Version 4.17, September 2012
Printing a Chromatogram
1. To print a chromatogram first open
chromatogram 602.CHR. Once the
chromatogram is open select File
from the PeakSimple menu bar and
then select Print from the drop-down
menu.
2. The Print window will open and will
allow the user to customize the print-
ing of a chromatogram. Click on the
Format button for the Print header to
open up the Header format window.
Add or delete any information in the
window by clicking on the fields and
inserting the desired information. Click
on the OK button when all the desired
information is inputted to close the
window.
3. In the Print window click on the For-
mat button for Print chromatogram to
open up the Chromatogram format
window. Locate the Chart speed dia-
logue box and insert the number of
inches each minute on the chroma-
togram will take up when printed (for a
nine minute run try 0.50 inches per
minute). After the Chart speed is en-
tered click on OK to exit the window.
4. In the Print window locate the Print
report check box and click on the For-
mat button to its right.
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PeakSimple Basic Tutorial
Version 4.17, September 2012
5. Once the Report format window is
open click on External in the Avail-
able dialogue menu (on the left) and
then click with the mouse cursor on
the right facing arrow button to add
External to the Selected dialogue
box (on the right). After External is
added to the Selected dialogue box
click on Units with the mouse cursor
and click on the right facing arrow but-
ton to add Units to the Selected dia-
logue box. Click on OK with the
mouse cursor to exit out of the Report
format window.
6. Select Print in the Print window to
print the chromatogram or click on OK
in the Print window to exit the window.
Exporting to Excel
1. In the PeakSimple toolbar click on the
Results window button to open up
the Results window. Once the Re-
sults window is open click on the
Copy button to copy the results data
to the Windows clipboard.
2. Make sure Microsoft Excel is loaded
on the computer. If Excel is not loaded
you can copy results data and chro-
matograms to Microsoft Word or
PowerPoint. Open up Microsoft Excel
by clicking with the mouse cursor on
the Start button in the bottom left of
the Windows screen and then Pro-
grams and then Microsoft Excel in
the Windows Program menu.
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PeakSimple Basic Tutorial
Version 4.17, September 2012
3. Once Excel is opened select Edit
from the Excel menu bar and then
Paste from the drop down menu. The
results data is now placed into the col-
umns and rows of Excel. Using the
mouse cursor, select a box to the right
of the results data in the Excel
spreadsheet. Go back into the Peak-
Simple program and hit Close to exit
the Results window.
4. Right click with the mouse cursor any-
where on chromatogram 602.CHR
and select Copy picture from the re-
sulting menu. Go back into Excel and
select Edit from the Excel menu bar
and then Paste from the drop down
menu. The PeakSimple chroma-
togram will now be displayed next to
its results data in the rows and col-
umns of Microsoft Excel.
This concludes the PeakSimple Basic Tutorial.
An Advanced Tutorial can be obtained by going to:
www.srigc.com
If you have questions or would like to place an order, call:
(310) 214-5092
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