To calculate the average crystallite size in FULLprof follow these steps:

1. Make an IRF file - fit the XRD pattern of a high-quality standard on the instrument that you take your data on. This file subtracts the broadening caused by your instrument so that your sample contributes 100% of the peak broadening. You make this in EdPCR under templates.

2. Upload the IRF file in EdPCR under the geometry tab. I select FWHM for the Instrument Resolution Function. However, you should only let the U parameter in FWHM vary. V and W should be zero. 

3. Fit your pattern. When you have your best fit, let the IG parameter vary. Then repeat your fitting technique to get the best fit. I make sure that I vary the IG parameter as the final step.

4. Go to the output folder and search for the last .mic file. This contains your average crystallite size and average strain at the bottom of the file. 

I am not sure about the version running below mach. But in general Fullprof can do a size-strain analysis using the Thompson-Cox-Hasting parametrized pseudo-Voigt approach. You need to provide an instrumental resolution file, otherwise Fullprof will not write microstructure output, assuming that the results will be unreliable.

thank you for your attention,

Fullprof must be installed earlier than match, so any version of Fullprof can be installed

I installed the last version of Fullprof.

can you guide me to calculate crystallite size with Fullprof?

Hii Hossein,

I have both installed fullprof and match. I did't find the crystallite size calculations in fullprof. But in match you can calculate the FWHM of each diffraction pattern and then the crystallite size by Scherrer equation.   

I also didn't find the crystallite size calculations in fullprof

Dear Dr. Daniel, how to make an IRF file? I have NIST standard LaB6 data.

Fullprof manual Page 20-30 contains useful details about size - strain calculations. 

It may be instructive to look at the cuf1k.pcr file given in the “example” folder of Fullprof. In this case a strain analysis is carried out, but size analysis is quite similar. You have to put NPR=7, Res = 1 and then specific the resolution file. Take a look at the d1a_llb.irf file: you see that you need to specify the values of U V and W, the wavelength, as well as the asymmetries S_L and D_L. You have to evaluate these values for your diffractometer using a standard sample, where size and strain contribution to peak shape are negligible (by a standard refinement of the standard sample data) and build your own *.irf file. Then you can refine for example the Y – Lorentzian isotropic size parameter to determine the size of the domains. The results can be read in the *.mic file generated after refinement

The XPowder12 program solves the crystal size and strain by the methods of Williamson-Hall and Warren-Averbach,  with instrumental profile correction in both cases. See www.xpowder.com 

if you extract your peak data, I think you can easily set-up an excel file for your calculations?

To calculate the average crystallite size in FULLprof follow these steps:

1. Make an IRF file - fit the XRD pattern of a high-quality standard on the instrument that you take your data on. This file subtracts the broadening caused by your instrument so that your sample contributes 100% of the peak broadening. You make this in EdPCR under templates.

2. Upload the IRF file in EdPCR under the geometry tab. I select FWHM for the Instrument Resolution Function. However, you should only let the U parameter in FWHM vary. V and W should be zero. 

3. Fit your pattern. When you have your best fit, let the IG parameter vary. Then repeat your fitting technique to get the best fit. I make sure that I vary the IG parameter as the final step.

4. Go to the output folder and search for the last .mic file. This contains your average crystallite size and average strain at the bottom of the file. 

Hi dear

i didnt work with fullprof. but know any one that worked. I try to find her email and send you .

I downloaded Match, but it doesn't give the option of uploading an IRF file, which is required by Fullprof to calculate the average crystallite size. 

Dear Researchers,

I want to thank you for your answers and for your support .

It's very nice to have your attention.

There is an option on match that you can save fullprof final refined results .

I think this files can be used for calculation of crystallite size, but I don't know how.

I have a pcr file refined by match! How can I calculate the Crystallite size and strain without taking into account the instrumental broadening? What is the exact procedure with Fullprof Suite?

Ciao Gianfranco, non puoi calcolare il contributo size e/o strain se non conosci il contributo strumentale. con Fullprof devi

1) determinare il contributo strumentale con un campione standard facendo un normale raffinament, ma usando la funzione NPR=7; 

2) usare i parametri ottenuti per fare il tuo file IRF (basta che prendi uno dei file IRF degli examples e ci sostituisci i tuoi valori)

3) fai  il raffinamento della tua fase ustlizzando il tuo file IRF e la funzione NPR=7; se fai il raffinamento dei parametri di strai/size anisotropici, devi imporre il corretto modello (strain model o size model) in funzione del gruppo spaziale della fase che stai studiando. i risultati li trovi nel file MIC che ti si genera al termine del fit

Similar recommendation as Daniel Wildson's!

Translated by Google for the rest of us :-)

"Hello Gianfranco, you can not calculate the contribution size and / or strain if you do not know the instrumental contribution. fullprof with you

1) determine the contribution instrumental with a standard sample doing a normal raffinament, but using the function NPR = 7;

2) use the parameters obtained to make your file IRF (just take one of the examples of the IRF file and we replace your values)

3) make the refinement of your stage ustlizzando your file IRF and the function NPR = 7; if you make the refinement of the parameters of strai / size anisotropic, you have to impose the correct model (strain model or size model) depending on the space group phase you are studying. the results will find them in the file that you MIC is generated at the end of the fit"

Note: Do remember that the effect of the  shape of the coherent diffracting domains cannot be resolved with this method using conventional equatorial scan diffractograms only (nor can any existence of "preferred orientation")! It must be assumed in the "model". Unless one has corroborating SEM or TEM data the assumption may result in errors. It is easier to use this method to examine samples relative to "known standards" :-)

https://translate.google.com/

I've made video on how to run PM2K (WPPM).

This software can calculate the domain/crystallite size distribution, dislocation density and other defects.

Instrument determination: https://youtu.be/EAD23IHnvPI

Sample analysis: https://youtu.be/gMU3lYNRRuU

Thank you Dr. Manawan for sharing this link. I hope can share more videos about using PM2K software.

claro que puedes, mediante la función Thompson - Cox - Haising, debes usar un archivo irf, el cual puedes descargar en la página fullprof.