Bruker (Siemens) D5000 XRD Operation Guide A. Edit DQL file

Bruker (Siemens) D5000 XRD Operation Guide
04/30/2015 D Convey
A. Edit DQL file
1) Double click on desktop icon, click “OK” when Configuration warning message appears
2) Select “Measurement Setup”  “Qualitative Simple”
3) On the menu page shown below enter: Comment, 2Theta Start Angle (minimum allowable=5),
Stop Angle, Step size (minimum allowable=0.01), Time/Step, and Generator values; click OK
and Save As to your subdirectory on the E drive.
Page 1
B. Run scan
1) Double click on “JOB Measurement” desktop icon
Please ignore the “Error Log File” message
2) Verify and change default directory if necessary (use E drive for data storage location) by selecting
“File”  “Change Default Directory.” Be sure to include a backslash at the end of the string
(example—E:\LinGroup\).
3) Enter: Raw-file name, Sample ID (if desired), then click inside the Parameter File field and click
Browse button to find and select the desired DQL file you have created.
4) And finally, select “Execute Job” to begin your measurement.
The “Edit Job” message can be ignored as it is not necessary to use .job files
C. Track real time scan progress
1) Double click “Status Display” desktop icon
OR
2) Go to Windows Start (lower left bottom of display)  Programs  Siemens DIFFRACplusD5000#1  Status Display
Page 2
D. Evaluate/analyze raw data
1) Double click on “EVA” desktop icon
2) Select and open the desired “.raw” file by clicking the open folder icon on the EVA page.
3) Selecting Toolbox icon and Scan allows you to select functions such as: Background, Strip KA2,
and Smoothing—click to replace and edit the original “.raw” file.
Toolbox icon
Page 3
4) Selecting Pattern from the Toolbox along with Search functions (by name/# or Search/Match) you
can identify elements and compounds of the sample and Search for matches from different
databases. (Hovering the cursor over the icons will display their functions.)
5) From EVA you can Export any modified spectra as a “.raw” file or Save As “.eva” file.
Page 4
E. Converting RAW files to UXD (Universal X-ray Data) spreadsheet format useable with Excel
1) Double click on XCH desktop icon
2) Select and Open your “.raw” file
3) Select “UXD Format” under the FILE menu
Page 5
4) Select desired Formatting Options (Raw Data Format, Peak List Format, etc.); note the number of
characters entered for the Column Width will determine the value displayed beyond the decimal
point; select OK when done
5) Select the To UXD icon, OR  File  Translate  To UXD AND Save with appropriate file
name
For any instrument issues or maintenance requirements contact:
Diana Convey
GWC-B72
480.965.9614
Diana.convey@asu.edu
Page 6