Roughness correction using Fullprof

Hi All, Somebody know how to make surface roughness correction using Fullprof in Bragg-Brentano geometry? Thanks in advance for your help. Mario A. Macías Universidad Industrial de Santander Colombia. ++ Please do NOT attach files to t

RE: Instrumental resolution function

Dear All, Really, I appreciate too much all your comments. I'm glad to be part of this list. My best wishes. Mario. > I do exactly the same - fit tube tails using LaB6 standard and use the > parameters (usually w/o fitting) in all other refinements. Although tube > tails fitting helps a lot

[Fwd: Question on file formats]

Dear Lee, If you have data as (.dat) for GSAS, TOPAS can read this file in the option GSAS CONST data files (“.”). However, you can convert .asc to .xrd and then to read it with POWDERX and save it as GSAS (.dat) Best Regards, Mario Macías Universidad Industrial de Santander Colombia ---

Re: U iso and U aniso

Dear Ana, I know that the Gretep program (Grenoble Thermal Ellipsoids Plot Program)can make this conversion. Best regards, Mario Macías Univeersidad Industrial de Santander Colombia Dear All, > > > > How can I convert the “anisotropic temperature factors” (uij) into an > “isotropic temperatu

RE: Quantitative analysis

Thank you to all for your generous help... has been very important your information.. Mario. Mario, > > From the information that you just gave, it appears that the corundum 012 > and siderite 012 are not well resolved causing more of the siderite 012 > intensity to be attributed to the corundu

RE: Quantitative analysis

>Dear all, the well-known data are: CaCO3 (20%), CaF2 (35%), SiO2 (1%), Al2O3 (20%), and FeCO3 (24%). The data obtained without PO are: CaCO3 (24%), CaF2 (36%), SiO2 (1%), Al2O3 (17%), and FeCO3 (23%). The data obtained with PO are: CaCO3 (19%), CaF2 (32%), SiO2 (2%), Al2O3 (31%), and FeCO3 (16%).

RE: Quantitative analysis

Dear all, The data collection conditions is: hand grind (35 microns), scan: 2Theta/Theta Coupled, to steps 2 sec., target Cu, graphite monochromator, side loading. The correction of preferential orientation has been refined by March-Dollase model. Thanks a lot, Mario. Dear Mario, > > Please

Quantitative analysis

Dear all, I have this question, I have been refined one mixture (of well-know percentage composition) of CaCO3, CaF2, SiO2 and Al2O3, with preferential orientation in CaCO3 (104) and CaF2 (111) with good results. When I add to the mixture FeCO3 and I refine with preferential orientation (104), it

IRF

Dear all, and Dear Leopoldo, I have carried out the IRF calculate. In this calculate has been refined the Incident intensity, 2-theta displacement, PseudoVoigt Instrumental Function (which corresponds to the Caglioti Instrument Broadening and it contains: asymmetry, HWHM and gaussianity parameters

Re: Beta iso

Dear all, Thanks a lot by your helps. I think that, this means of communication is very important. Mario.

Beta iso

Dear all rietvelders, Can I obtain negative value of Beta isotropic? I have obtained good value of refinements with negative value of Beta isotropic. Is that possible? I mean, the Beta isotropic depend of quadratic displacement of the atom. Thanks a lot for your help, Mario Macías UIS, Colombia

Re: Preferred orientation?

Dear all, If, I can to obtain the data from Bragg-Brentano geometry, obtained by very slowly steps (maybe to 20-30 seconds), Can I make a microstructure analysis (crystalline sizes and residual tensions) using Rietveld refinament? Best regards, Mario Macias UIS, Colombia ---

Re: Preferred orientation?

> Dear Reinhard, If I want make a microstructure analysis of data from Bragg-Brentano scan. Can I use spherical harmonic model and Rietveld refinament content into Fullprof? Best regars, Mario Macias UIS, Colombia. Luca, > I understood Gerard's problem to have a measurement of a powder (of >

Re: NBS*AIDS83

> Dear Renato, If you want, I can send you that software. That is easy for use. Best regards, Mario. > --- > Dear Mario. > > How can I get this NBS*AIDS83 program? > > > Best regards > > > > Renato Bastos Guimarães > > Laboratório de D

Re: lattice parameter determination

> Dear Matt, we have determination of unit cell parameters from powder data, using the following software: POWDER X for treatment of data, DICVOL04 for determination of unit cell parameters and crystalline system, NBS*AIDS83 for Least squares refinement of peak positions without internal standard.