1. “ Spectral Data Processor v7.0 ”
On-Screen Training Movies (#1-30)
produced by
XPS International LLC
May 15, 2015
SDP v7.0 On Screen Operation Manual

2. SDP v7.0 On Screen Operation Manual
OVERVIEW
This series of movies shows you how to operate SDP v7.0
The movies are numbered in a training sequence but you can jump to any movie at any time.
SDP is designed for processing XPS spectra in ASCII datafiles
SDP is designed for use with aluminum X-ray sources, but can be easily adjusted to work with Mg or other X-ray sources
SDP is a 32-bit stand-alone software that runs on Win XP, 7, 8 or
SDP saves and uses the most recent settings
May 15, 2015
SDP v7.0 On Screen Operation Manual

3. SDP v7.0 On Screen Operation Manual
List of Movies
#01 Introduction #02 Main Display Features #03 Pull-Down Menus #04 Shortcut Icons #05 Import Options #06 Opening Spectra #07 Charge Correcting Spectra #08 Peak-fit Basics #09 Peak-Fit Advanced #10 Overlaying #11 Wide Scan Survey Spectra #12 XPS Spectral Lines Pop-up #13 Identifying Peaks #14 Peak Labels
#15 Atom % Table
#16 Annotations
#17 Desk-Top-Publishing Images
#18 Screen Capture and Snag-It
#19 Exporting Spectra, Peaks, Tables
#20 Transmission Function Correction
#21 Sample Description Pop-up
#22 Modifying Raw Data Permanently
#23 Zoom by Mouse and Un-Do
#24 Delete Spectra and Merge Files
#25 Non-mono Satellites
#26 Depth Profiles
May 15, 2015
SDP v7.0 On Screen Operation Manual

4. SDP v7.0 On Screen Operation Manual
Main Display Features
Mouse Cursor - used for zooming - by drawing a box
used to show energy at any point (press left button)
Top menu bar - lists number spectra regions in file & filepath
Main Display Shows: Sample Description, System Name, Pass Energy, Neutralizer, and Date, Atom % Summary, and Peak-fit Summary (user can hide or show any of these selectively)
X-Axis - Energy scale in BE, but can be KE, and can be reversed
Y-Axis - Counts scale (will be upgraded to display CPS)
Tiling - displays multiple spectra side by side - see Window menu
May 15, 2015
SDP v7.0 On Screen Operation Manual

5. Zooming, UN-DO, & Scaling Display
Zooming by drawing the “Boxes” with the mouse
Activate the zoom by placing the cursor in the box and pressing the “Right-hand” mouse button
Un-Zoom or Return to Full Screen by pressing “Right-hand” mouse button again
To “UN-DO” many actions in a step-wise manner use the UN-DO routine
Use “Scale X-Y Display” for exact scaling of the Active Display
May 15, 2015
SDP v7.0 On Screen Operation Manual

6. SDP v7.0 On Screen Operation Manual
Pull-Down Menus
Files/Printing (for opening, printing, and options)
Scale/Modify Display (for general data processing & DTP)
Peak Analysis (for wide scan and atom % processing)
Peak Fit (for peak-fitting high resolution spectra)
Window (for tiling)
Help/Info
May 15, 2015
SDP v7.0 On Screen Operation Manual

7. Icon Shortcuts for Major Functions
Left Arrow and Right Arrow - view previous or next spectrum in multi-spectra file
XPS Spectral Lines - assists with peak identification
F & ID - automatically finds & identifies peaks - good for conductors
Add Peak Baseline - Linear(L), Shirley(S), and Tougaard (Tg)
Peak Table - Shows Details of Peaks - allows many changes
Edit Peak Label (Pencil, Peak, ?) - allows user to add or modify peaks & labels etc.
Add Peak - used to add a peak to a peak-fit (after defining a baseline)
Start Peak-Fit - used to start peak-fit minimization process
Peak-Fit Table - shows results of peak-fit & allows editing & labeling
Edit Peak Constraints & Fit Parameters - used for advance peak-fitting needs
Add Annotations Icon - used to add annotation any where on spectrum
Edit Annotations Icon - used to correct any annotation
Move Annotations Icon - used to relocate or delete any annotation
May 15, 2015
SDP v7.0 On Screen Operation Manual

8. Opening/Importing Spectra Files
Open by Drag & Drop
Open by Importing
Special ASCII file formats require exact file type to open
VGX900
Quantum
Multi-Pak
Spec-LHS
Presenter
May 15, 2015
SDP v7.0 On Screen Operation Manual

9. Import Options & Other X-ray Sources
Select Auto-Detect mode
Select BE as the default value for energy scale for XPS
Select KE as the default value for energy scale for Auger
Set the default value for the X-ray energy (the default is eV for Aluminum X-rays)
For Magnesium X-ray sources set the “Default Source Energy” to eV
For UPS or Synchrotron data change default source energy to the energy used
May 15, 2015
SDP v7.0 On Screen Operation Manual

10. Charge Correcting High Energy Res Spectra
Open C (1s) spectrum and locate BE of hydrocarbon peak
Calculate the charge correction value
Reference BE C (1s) - Observed BE C (1s) = Correction
Open “Charge Compensation” routine
Enter a negative number for monochromatic sources
Enter a positive number for non-monochromatic sources
All spectra in that datafile are then automatically shifted
After charge correction, do peak-fitting (not before)
May 15, 2015
SDP v7.0 On Screen Operation Manual

11. Processing Wide Scan Spectra
We often use the “Find & Identify” routine to find and identify the major peaks for conductive materials
“Find & Identify” can also be used on insulators which have been charge corrected
“Find & Identify” generates atom% values for the major components
To identify unexpected signals we use the “XPS Spectral Lines” routine
To edit peak labels or to label any new peaks we use the “Edit Peak Label” routine
May 15, 2015
SDP v7.0 On Screen Operation Manual

12. Peak-Fitting - The Basics
Select number of endpoints to calculate smoothed endpoint positions
Define background endpoints using mouse (vertical cursors)
Edit “Peak-Fit Parameters” to define default G:L peak shapes
Use mouse box to define FWHM of each peak (add peak)
Click on Start Peak-fit to get simple results
Edit Peak Labels as desired (20 character max)
May 15, 2015
SDP v7.0 On Screen Operation Manual

13. Peak-Fitting - Advanced
Draw a box within the peak to be modified
Open “Edit Peak-Fit Parameters” menu (Linked Peaks Icon)
Modify the BE, FWHM, Height as desired
To “Link” or “Constrain” a different peak to the selected peak open the pull-down menu (“NO LINK”) and choose
Select a “Parameter” to be “Linked” or “Constrained” (e.g. Peak Areas, Peak Heights, Peak Widths, BE positions)
Modify the G:L ratio of each peak individually
Modify the peak shape to include some asymmetry to compensate for core-valence interactions
May 15, 2015
SDP v7.0 On Screen Operation Manual

14. SDP v7.0 On Screen Operation Manual
Overlaying Spectra
Copy any spectrum to “Overlay Window”
Select 1 of the spectra displayed
Open next file and add next spectrum to “Overlay Window”
Zoom in as desired
Use “Tiling” to display Overlay alongside Raw Spectra
Use “Display Options” to change colors & line thickness
To capture the Overlay Window press “Alt-PrintScrn”
To paste it press “Ctrl-V” or “Paste Bitmap”
May 15, 2015
SDP v7.0 On Screen Operation Manual

15. SDP v7.0 On Screen Operation Manual
XPS Spectral Lines
“XPS Spectral Lines” is a “Look-Up Table” which is used to identify major and minor peaks in any spectrum
This routine is listed in the Peak Analysis menu as the “Identify Peaks (XPS Lines)” routine and is available as a Icon
After the major peaks have been integrated and have baselines then it is possible to use the “XPS Spectral Lines” routine to identify the peaks or to search for potential species
XPS Spectral Lines is normally used on Wide Scan but it can be used on Narrow Scan spectra
To change the list of XPS Spectral Lines we need to select the “Change Look-up Table” which has several alternate tables useful to Al or Mg XPS systems
May 15, 2015
SDP v7.0 On Screen Operation Manual

16. SDP v7.0 On Screen Operation Manual
Too Many Peaks
If the “Find Peaks” routine finds too many peaks, then we need to change “Find Peaks Parameter” or decrease the intensity
In some cases it may be necessary to smooth the data or to divide the peak intensity by 100 to get the best results for finding peaks
May 15, 2015
SDP v7.0 On Screen Operation Manual

17. SDP v7.0 On Screen Operation Manual
Identifying Peaks
For Insulators we normally use a 2 step process to identify the peaks to minimize the chance of error in assignments
After all the major peaks are integrated, we use the “XPS Spectral Lines” routine to assign those signals
At first we assign the C (1s) and O (1s) peaks and then we assign the major signals of the other major elements
May 15, 2015
SDP v7.0 On Screen Operation Manual

18. SDP v7.0 On Screen Operation Manual
Peak Labeling
There are various places that we can add labels to a peak including: Peak Table, Peak-Fit Table, Constrain Peak-fit
We can also draw a “Mouse Box” within any peak which has been integrated or peak-fitted and then add a Peak Label
Peak Labels are written vertically above the peak
Annotation is different from Peak Labels and is written horizontally at any point on a spectrum
Annotation can be done anywhere and is used to add special information for publications or note writings
May 15, 2015
SDP v7.0 On Screen Operation Manual

19. Atom % Composition Tables
Open “Peak Table” and activate peaks to quantify
A summary table of the Atom % appears on the spectra
That “Summary Table” will appear on all printed spectra
Please use the “Print Atom % Summary” to print a hard copy
We can export Atom% as a text file by using “ASCII Export”
Atom % values are directly affected by the “Sensitivity Factor Exponents” which correct for differences in Transmission Function, Pass Energy, and differences in KE which affect the IMFP
May 15, 2015
SDP v7.0 On Screen Operation Manual

20. BE & RSF Look-Up Tables (ASCII files)
Change from Al to Mg XPS “Look-up Table”
A Wagner RSF “Lookup Table” is provided
A Chemical State “Lookup Table” is provided
Each “Lookup Table” can be modified as needed by user
May 15, 2015
SDP v7.0 On Screen Operation Manual

21. Adjustments for Transmission and IMFP
The “Sensitivity Factor (SF) Exponent” is a exponential number which modifies the “Relative Sensitivity Factors” (RSF) by the simple equation shown below:
By changing the SF Exponent we can correct for simple differences in Transmission Function or IMFP
The Equation is:
New RSF = Old RSF x ( eV - new BE )SF Exponent eV eV
May 15, 2015
SDP v7.0 On Screen Operation Manual

22. Printing & Desk-Top-Publishing
Adjust color, font, and line thickness with “Display Options”
Adjust page borders as desired to allow for hole punching
Choose Portrait or Landscape plot styles
Print to any Windows printer or various print files
Use “Print Active Display” to print most spectra
Use “Print Peak Table” to print Atom % results
Use “Print Peak-Fit Info” to print peak-fit results
May 15, 2015
SDP v7.0 On Screen Operation Manual

23. SDP v7.0 On Screen Operation Manual
Annotation
To add an annotation we draw a “Mouse Box” at the place we want to add some text
Then we select the “Add Annotation” icon or Annotation menu. A box appears and we type in the text that we need.
To edit an annotation we select the “Edit Annotation” icon or menu and select which annotation we want to edit.
To move an annotation we draw a new “Mouse Box” at the place that we want the text and select “Move Annotation” icon or the “Move Annotation” menu
May 15, 2015
SDP v7.0 On Screen Operation Manual

24. Screen Capture & Pasting
Capture the “Active Display” as a Bitmap (*.bmp) to the Clipboard
Use “Paste”, “Paste Special”, or “Import” to paste the bitmap image into MS-Word etc.
To capture the Overlay Window press “Alt-PrintScrn”
To paste the Overlay, press “Ctrl-V” or “Paste Bitmap”
To trim the edges of the Bitmap image use the “Crop/Trim” tool in the Picture menu of MS-Word or the software you are using for DTP
May 15, 2015
SDP v7.0 On Screen Operation Manual

25. Exporting Atom% Tables, Peak-fit Tables and Spectra
Export “Atom%” or “Peak-Fit” tables to ASCII files
Export/Save spectra as “X-Y” ASCII file to be opened in Excel, Origin, Igor Pro, Kaleidagraph, CasaXPS…
Export/Save spectra as SSI ASCII or binary files
Export/Save spectra as VAMAS datafile (current ISO standard)
May 15, 2015
SDP v7.0 On Screen Operation Manual

26. Modifying Sample Description
The “Sample Description” consists of two lines of text which can be modified by selecting “Edit Descriptions / Names”
These two lines are useful to describe the sample, its treatment, and any special conditions not listed elsewhere.
SDP attempts to find and load “Sample Descriptions” stored in the various datafiles that it can import
One you have made any sort of modification to a spectrum and attempt to close that datafile, SDP will ask you if you want to save the modifications to permanent memory. Normally we say Yes to this request.
May 15, 2015
SDP v7.0 On Screen Operation Manual

27. Modifying Raw Data or Spectrum Parameters
Manually adjust or shift energy scale
Manually scale data by some value ( x / )
“Auto Background Subtraction” is included
“Pass Energy” values can be modified if desired
“Start” and “End” energy values can be modified if desired
May 15, 2015
SDP v7.0 On Screen Operation Manual

28. Deleting Spectra & Merging Files
It is possible and sometimes useful to delete certain spectra from a multi-spectra datafile. To delete one or more spectra please use “Delete Current Spectrum” and save the new file. (Listed in the Scale/Modify Display menu)
It is also possible and sometimes useful to merge two or more datafiles together into one datafile. Please use the “Merge Files” listed in the “Files/Printing” menu.
May 15, 2015
SDP v7.0 On Screen Operation Manual

29. Saving/Exporting Files in Other File Formats
It is possible to save any “Active Datafile” in six different file formats: SDP Binary, XI ASCII, SSI Binary, VAMAS, ISO, ComPro, “XY” ASCII and” XYZ” ASCII text
The VAMAS format can be readily imported by many other XPS data processing software found on various modern XPS systems
The “XY” ASCII format can be imported by Excel, Origin, Igor Pro, 1-2-3, MatLab, KaleidaGraph and many other data processing software
May 15, 2015
SDP v7.0 On Screen Operation Manual

30. Removing Non-Mono Satellites
SDP allow the user to remove non-mono X-ray satellites from those XPS spectra which have X-ray satellites.
The current set of satellites include Al, Mg and Ag satellites.
The user can modify the ASCII text files which are used to remove these satellites. To do so, please open the file called “Non-mono.txt”
It is also possible to add more lines to the “Non-mono.txt” file to remove other non-mono satellites.
May 15, 2015
SDP v7.0 On Screen Operation Manual

31. Processing and Displaying Depth Profiles
The depth profile routine was recently added and contains many advanced features.
It is possible to peak-fit all of the spectra in a depth profile
It is possible to generate an Atom% vs Depth plot
It is possible to generate a 3D Montage plot to show the changes as a function of depth from various viewpoints.
It is possible to generate a simple 2D display which looks like a overlay of all the available spectra.
May 15, 2015
SDP v7.0 On Screen Operation Manual