What would be the X-ray diffraction intensity of a ternary compound with one atom spatially fluctuating inside the octahedra?

If a ternary ABC2 compound with two sublattices, say BC4 and AC8, where B and C are at the center of tetrahedra and octahedra respectively, suppose if A atom is randomly fluctuating inside the AC8...

31 December 2019 2,130 4 View

How to run a cmpr file with synchrotron data in dat format?

While I am uploading dat file in CMPR software, I don't see any peak list in my index menu. So I am unable to continue further for peak indexing. How to solve this issue?

02 March 2017 5,413 1 View

How can I confirm valence change from high pressure XANES data?

I have to check if there is a mixed valence state to single valence transition under high pressure from XANES data

11 December 2016 2,205 2 View

I have a high pressure data on EXAFS and I am a beginner on this topic. How to start EXAFS data analysis?

10 November 2016 8,359 4 View

How to reduce the chi square value of XRD pattern if its initial value is too high (10^7) by profile matching method?

I have solved the lattice type and space group of high pressure phase of a thallium based ternary ABC2 type compound which crystallizes in orthorhombic structure. I tried to fit the high pressure...

04 May 2016 6,282 24 View

How to calculate the error value of FWHM of Voight function?

03 April 2015 7,675 1 View

In Rietveld refinement using Fullprof, how to find the standard deviation?

General question

01 February 2015 6,939 3 View

Is there any possible way to distinguish between ETT and TPQT from high pressure XRD, Raman and resistivity studies?

ARPES study is the direct evidence for the topological insulating state. However, some of the trivial insulators can be transformed into non-trivial topological insulators by alloying, applying...

01 February 2015 8,716 4 View

should I refine occupancy of high pressure XRD data? If it so, can you please tell me how to refine it?

I am doing Rietveld refinement of high pressure data for a Thallium based ternary system. I am not sure about the refinement for the occupancy values of all the three atoms. Also I want to know is...

31 December 2014 8,023 6 View

Timeout error!! Processor in the loop (PIL) using STM32F4 Matlab 2018a?

Dear Researchers I am trying to perform a PIL simulation using STM32F4 Discovery board and comunication serial USB TO TTL. During simulation I receive the following timeout error: An error...

01 March 2021 2,327 1 View

What could be the reason for not having further low chi square value (better agreement) in my refinement result?

I have tried every combination of parameter changes and after that i have a poor chi square value. I can't get it lower any further. I know there have been a lot of discussion about Rietveld...

26 February 2021 8,480 3 View

No title

I am trying to find how to know the density needed for a pva electrospinning in a 0.6mm neddle, the electrospinning will be from top to bottom and the problem I really have is the solution because...

25 February 2021 2,615 3 View

How Can I clain a removal of a co-author?

I would like to make a correction in a co-author in your paper which is wrong. This name is also in other papers of Kenton Ko. Zey Ko is not a Co-author . The correct name is Zdenka...

24 February 2021 3,476 4 View

How does the injection volume impact LLOQ and ULOQ in regression analysis (LC-MSMS)?

Hello, I have run into an issue that has sparkled a debate at work: is the LLOQ/ULOQ impacted by injection volume under the following circumstances: 1) Same dilution factor of all samples 2)...

23 February 2021 9,159 3 View

Why the CHi^2 is close to zero with a bad fitting but the Rp and Rwp are still high?

I am refining my XRD data using in FullProf program. The intensity of the modulated X-ray peaks is almost flat. I tried to adjust the peak intensities but unsuccessful. What is the reason? I guess...

23 February 2021 2,304 4 View

Difficulty in debugging code to correct error - TypeError: '<' not supported ?

I am trying with a Unet code ontained from net ...in tensorflow. When trying to predict the segmentation result with the trained and saved model with metric " iou" using "CustomObjectScope"...

22 February 2021 5,254 1 View

How to perform Haldane correction on SPSS?

I was wondering if anyone knew how to perform the Haldane correction for SPSS (this is the definition of the correction -...

21 February 2021 2,882 1 View

absorption= 1-mag(S(FP1:1,FP1:1)*S(FP1:1,FP1:1))-mag(S(FP2:1,FP1:1)*S(FP2:1,FP1:1)) is it correct for absorption ?

hi everyone I am simulating a unit cell structure in HFSS using Flouquet port having two modes for absorption I have used this formula:- absorption=...

17 February 2021 9,178 2 View

Why CHi^2 is reducing if I divide the intensity by a constant factor?

I was refining my XRD data in FullProf. Highest intensity was 400000. The fitting was good but still the Chi^2 value is very high (0.174E+04) I divided the intensity by some constant factor (say...

17 February 2021 3,383 5 View