Sir, I am getting the value of lattice constants of pattern after refinement(chi sq = 1.94), the same as the standard unit cell reference loaded . Why is it so? Can I take the values?
Hello sirr I am research scholar work in the area of crystal structure but unable to do refinement can you please help me out and can you please share your data WID me for a practice my email id is aktangra@gmail.com
while downloading the cif files from materials project, I found that the primitive cell is a Triclinic P1 structure (for all crystals). How to convert this triclinic P1-primitive cell to the original symmetrized unit cell? and/or how to find the original crystal system from this primitive cell (triclinic P1) Is there any calculation or software is available? In my case, the XRD pattern was changed to another unknown phase after doping. How to solve my problem. Please explain this. Thanks in advance
when i run pcr for ZnO, the error will be "zero half width parameter for phase 2 and no resolution file provided, give appropriate value for U,V,W,X,Y" on next occasion the error will be "Non Fatal end of file logical unit 1". how can i solve this ?
I have a lot of peak overlap in my sample. The tops of my peaks have several spikes. Is this normal/acceptable for publication or do I need to do my work?
I followed each and every step given in this video but in the end when i click on multiple save button unlike in the video i get many files with extension .pcr, .out and .sum. And when I click on refinement the error pops up saying "Error on intensity file, check instr parameter." Can you help me resolve it asap?
As earlier, using Xpert HighScore we had identified all the present phases including this second phase(BAM, JCPDS 00-050-0513). We mentioned there that the order for the refinement of phases should be as the most exactly matching phases, BAM was the second most exactly matching phase after (Y0.95Eu0.05)O3 phase as seen from XPert HighScore. Further, you can download the CIF file for this second phase ( from any crystallographic database online) and repeat the similar steps to generate .PCR file then add this phase to the refinement process.
Thanks a lot for the video. I'm just wondering, if you keep the parameters of the already refined phase fixed whenever you move on to refine the next phase? Or do you keep some parameters of previous phases open to change?
Sir, your videos are very helpful and knowledge full. If I do not get cif files of some molecules then how can I do refinement of this. I have composit materials XRD , then how can I refine it using full prof. Please help me.
hi, It is a good tutorial. But I am facing problem to complete this whole process so can anybody help me? Pls give your email and I will share the issue what I have faced. Thank you,
Thanks a lot for this valuable discussion.
How to calculate quantitative phase percentage using FullProf suite?
Have you found out the answer ?
@@tinydragon2013 There is a file (.SUM file), open it and at the end you can see "BRAGG R-factors and weight fractions for samples".
@@tinydragon2013 after complete performance of the analysis u can find the value in output data file.
@@anurag5768 Thanks for the answer
But while doing analysis for 2nd phase it showing singular matrix error, negetive FWHM value etc how to delt with all those errors
how could I get the percentage (%) of them?
Can we obtain each phase percentage in the structure from Rietveld refinement analysis?
Yes!!
Excellent Vishal, keep it up
Thanks boss for the feedback!!
Sir, I am getting the value of lattice constants of pattern after refinement(chi sq = 1.94), the same as the standard unit cell reference loaded . Why is it so? Can I take the values?
Thank you for this tutorial! It helps me with Rietveld refinement of geological samples (more than 4 minerals...) :D
Hello sirr I am research scholar work in the area of crystal structure but unable to do refinement can you please help me out and can you please share your data WID me for a practice my email id is aktangra@gmail.com
Sir please help me in doing the xrd reitveld refinement of La2Ce2O7 based material
If I use a synchrotron, what will I assign for lamba1 and lambda2? I2/I1=?
sir how to calculate lattice parameter of composite film with different concentrations of doping
while downloading the cif files from materials project, I found that the primitive cell is a Triclinic P1 structure (for all crystals). How to convert this triclinic P1-primitive cell to the original symmetrized unit cell? and/or how to find the original crystal system from this primitive cell (triclinic P1) Is there any calculation or software is available?
In my case, the XRD pattern was changed to another unknown phase after doping. How to solve my problem. Please explain this. Thanks in advance
sir, what is the expected range of parameters? Can you please to give me any website or article that standardizes that range? Thanks in advance
when i run pcr for ZnO, the error will be "zero half width parameter for phase 2 and no resolution file provided, give appropriate value for U,V,W,X,Y" on next occasion the error will be "Non Fatal end of file logical unit 1". how can i solve this ?
tHANKS, ALOT FOR THE VIDEO. I HAVE A QUERY, Dear Sir, do we need to upload different cif files for multiphase refinement?
I have a lot of peak overlap in my sample. The tops of my peaks have several spikes. Is this normal/acceptable for publication or do I need to do my work?
Good work Vishal !, Your contribution to the work is greatly appreciated. Wish you success in your future endeavors. Sudhanshu Mallick
Thanks sir! I was glad this project gave me the opportunity to learn new tricks and I really enjoyed working on this project.
I followed each and every step given in this video but in the end when i click on multiple save button unlike in the video i get many files with extension .pcr, .out and .sum. And when I click on refinement the error pops up saying "Error on intensity file, check instr parameter." Can you help me resolve it asap?
How can I get error value for cell parameter, from rietveld
Hi, How can we convert XRD pattern file to .dat on Mac? Mac doesn't has notepad
how to set constraints in fullprof, can you tell us the detail. very thank you!
Very useful link.i tried for refinement but I have the chi square value is 9.44 how minimize it
could you also teach us, how we choose a multicolor brag position for multiphase
Best tutorial
thank you
how did you get second phase? you didn't explained about it
As earlier, using Xpert HighScore we had identified all the present phases including this second phase(BAM, JCPDS 00-050-0513). We mentioned there that the order for the refinement of phases should be as the most exactly matching phases, BAM was the second most exactly matching phase after (Y0.95Eu0.05)O3 phase as seen from XPert HighScore. Further, you can download the CIF file for this second phase ( from any crystallographic database online) and repeat the similar steps to generate .PCR file then add this phase to the refinement process.
how can i solve this?
hi sir thank's a lot
Thanks a lot for the video. I'm just wondering, if you keep the parameters of the already refined phase fixed whenever you move on to refine the next phase? Or do you keep some parameters of previous phases open to change?
Where can i get that music🤪🤪🤪🤪
Sir, your videos are very helpful and knowledge full. If I do not get cif files of some molecules then how can I do refinement of this.
I have composit materials XRD , then how can I refine it using full prof.
Please help me.
Thanks
hi, It is a good tutorial. But I am facing problem to complete this whole process so can anybody help me?
Pls give your email and I will share the issue what I have faced.
Thank you,