Thank you for this great software! Can you tell about tube tails? How we can get this from diffractometer and can we simulate this with a diffraction pattern of a reference sample?
Thank you very much for all the tutorials you provide for Profex. Is there a simple way to output the FWHM in profex? I want to use the fitted curves for Williamson-Hall and Reed-Schramm analyses. Or is there a way to generate equivalent information from the output k1, k2 and B1, B2 and "texture" values?
You won't get the FWHM from a refinement directly, because BGMN always separates the size- and strain-related peak broadening. When you open the peak list (Window -> Peak List), you will see peak-specific broadening width parameters B1 and B2. According to the BGMN manual section 5.5, and specifically Eqs. 5.15 - 5.18 [1], B1 is the width parameter of the size-related Lorentzian function L1, and B2 is the width parameter of the strain-related squared Lorentzian L2. The total sample contribution to the peak profile is the convolution of L1 * L2. I don't know if this gets you any further, but it is the closest you get to a simple FWHM from BGMN. Alternatively, you can output the crystallite size simply by adding the keyword "GOAL=GrainSize(1,1,1)" to the structure file. It will convert the refined B1 parameter to a crystallite size in nm. The micro-strain is simply calculated as sqrt(k2). That might be a lot easier than creating W-H plots. More information on the profile parameters B1, k2, k1, B2 is also given in [2]. [1] www.profex-xrd.org/wp-content/uploads/2017/05/BGMN_manual_2005.pdf [2] bgmn.de/variables.html#real
Fantastic, thank you for the continued support!
great work as always
Thank you for this great software!
Can you tell about tube tails?
How we can get this from diffractometer and can we simulate this with a diffraction pattern of a reference sample?
Semakin luar biasa, terima kasih!
شكرا على التوضيح (Thank you for the clarification)
Thank you very much for all the tutorials you provide for Profex.
Is there a simple way to output the FWHM in profex? I want to use the fitted curves for Williamson-Hall and Reed-Schramm analyses. Or is there a way to generate equivalent information from the output k1, k2 and B1, B2 and "texture" values?
You won't get the FWHM from a refinement directly, because BGMN always separates the size- and strain-related peak broadening. When you open the peak list (Window -> Peak List), you will see peak-specific broadening width parameters B1 and B2. According to the BGMN manual section 5.5, and specifically Eqs. 5.15 - 5.18 [1], B1 is the width parameter of the size-related Lorentzian function L1, and B2 is the width parameter of the strain-related squared Lorentzian L2. The total sample contribution to the peak profile is the convolution of L1 * L2.
I don't know if this gets you any further, but it is the closest you get to a simple FWHM from BGMN. Alternatively, you can output the crystallite size simply by adding the keyword "GOAL=GrainSize(1,1,1)" to the structure file. It will convert the refined B1 parameter to a crystallite size in nm. The micro-strain is simply calculated as sqrt(k2). That might be a lot easier than creating W-H plots.
More information on the profile parameters B1, k2, k1, B2 is also given in [2].
[1] www.profex-xrd.org/wp-content/uploads/2017/05/BGMN_manual_2005.pdf
[2] bgmn.de/variables.html#real
@@profextutorials2325 Thank you so much :)