How to get / present the results for XRD and XRF

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SUMMARY

The discussion centers on the challenges faced in obtaining detailed results from XRF analyses and in situ HTXRD using the Topas software. The user requested specific data formats, including raw files, ASCII files, and detailed reports, but received limited information instead. Key points include the need for proper presentation formats such as intensity versus 2-theta and the importance of crystallite size calculations in XRD analysis. The user seeks clarification on the scientific validity of their requests and the standard practices in presenting XRD data.

PREREQUISITES
  • Understanding of X-ray fluorescence (XRF) analysis techniques
  • Familiarity with high-temperature X-ray diffraction (HTXRD) methods
  • Knowledge of Topas software for crystallographic analysis
  • Basic principles of XRD data presentation and interpretation
NEXT STEPS
  • Research the capabilities and features of Topas software for crystallite size calculations
  • Learn about standard data presentation formats for XRD results, including intensity versus 2-theta
  • Explore the significance of raw data files and ASCII formats in XRF and XRD analyses
  • Investigate the JCPDS file matching process and its relevance in crystallography
USEFUL FOR

Researchers, materials scientists, and laboratory technicians involved in XRF and XRD analyses who seek to enhance their understanding of data presentation and analysis techniques.

Oxygenne
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I am doing XRF analyses and in situ HTXRD, there is Topas available.
Actually the experiment it is not done by me because I was told only one person should run the instrument in order to not damage it.

I asked
- to have 2 theta but the person told to me “no. all the people get results in this form.”
- to get the raw file and the ASCI file
- to get the pdf file in text format in order to know what is the descriprion in the matched file
- I file a sample of report after the experiment asking to include
“? wavelength dispersive X-ray fluorescence spectrometer, operated using a ? kW tube at ? kV and ? mA”

“? XRD diffractometer using ?radiation in ? mode with ? degree step size and ? s/step sampling time. The powder sample was placed ?. The samples were heated to various temperatures a heating rate of ? C/min and were held at various temperatures for ? min before recording the spectra.
match with the JCPDS file no ?”

Also since Topas is available I asked to get the the crystallite size calculations

But at the end I get the results with the d on the x-axis emf format paint-file and in one corner is listed the name of matched compounds.

To all above mentioned I was told you do not need that or we do not do that.


Would you please let me know why I do not get the results in detail as I asked?
Is it something wrong in my request from the scientific point of view?
Thank you.
 
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for the scientific presentations the way to present the data is

1) Intensity (a.u.) versus 2-theta
or
2) Lin(cps) versus D-spacing?

3) is it the last one an advance presentation of the XRD-data and I heard just now?
 

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