What factor decide intensity profile in crystallographic analysis using fullprof software?

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What is the application of XRD software?

I am studying xrd software. I want to in which areas we can use this

01 February 2016 3,764 0 View

How to decide whether the refinement is correct or not, based on Rwp and Rexp factors by Fullprof?

One of the papers I read by Toby, where (title of the paper was "R factors in Rietveld analysis: How good is good enough?"), he tells us that to get good chi square value, you must have low Rwp,...

17 July 2024 9,668 4 View

How do we evaluate whether the results of Fullprof Rietveld analysis are acceptable?

I am new to Fullprof and trying to perform a Rietvied analysis of a rare-earth zirconate sample. I was informed that one of the parameters to evaluate whether the results are acceptable is by...

10 July 2024 5,827 1 View

Can other standards be used to generate IRF file instead of LaB6,Si etc.,,, for Rietveld Refinement?

Hi, my research involves in ZnO synthesis. I have performed rietveld refinement of my samples and obtain a good fit using Fullprof suite software. However to obtain the crystallite size, the IRF...

07 July 2024 3,526 3 View

How to overlay multiple (more than two) )Ligands/ single crystal xrd structures?

Can anyone know how to overlay 3 or more crystal structure/chamical structures by using any software like olex2, mercury or pymol. Mercury has a option to do.. i want to know the step by step process.

16 June 2024 6,871 0 View

How can I find a way to make my chi2 to change in fullprof?

I am trying to refine my data in full prof and my chi2 is 0,834E11 and everytime i try to refine the data the plot deviates further from the actual data and the chi2 doesnt change. The first image...

02 June 2024 5,805 5 View

Why is sphere not a valid crystal structure ?

If u see nature ex:- honeycomb it is made of hexagon which on heating forms a sphere but y not in crystallography?

26 May 2024 6,604 5 View

How to know the space group of a powder if we only have a XRD pattern of a material and also its not getting matched with any of the standard XRD ?

What's the way out of this problem? Can the single-crystal technique do this task? If yes, What if we also can't make a single crystal of this powder material?

23 May 2024 6,163 2 View

Rietveld refinement of nanopowder samples?

I have synthesized strontium based hydroxy-apatite by co-precipitation process. i have done the rietveld refinement of it. The problem is its chi-square is not less than 2, even though I have...

10 May 2024 2,566 5 View

How do we interpret the origin statement ?

Crystallography Doubt_International Table of Crystallography In the space-group number 185 of ITA (see Attachment), how do we interpret the origin statement?

08 May 2024 10,055 0 View

Why are tensile tests of rolled sheets preferably performed on samples parallel to the direction TD and not RD? What makes it more critical?

Why are tensile tests of rolled sheets preferably performed on samples parallel to the direction TD and not RD? What makes it more critical? This preferable orientation is used in papers, and also...

04 May 2024 7,390 1 View

Maykel Manawan

The problem lies within ur data

Maximiliano Jesús Moreno Zapata

you need to use "free format" for their experimental data.

examples https://www.ill.eu/sites/fullprof/php/tutorials.html

That was opened by free format already.

Zhu Ting

How did you solve the problem finally sir?

I met the same problem

cry

Asked for 2 xy data format simply 2theta vs intensity.