We get powder diffraction pattern with diffractometers, but one of our primary concerns is to identify the contents (oxides) of our sample and quantify them.
Dear Martin Aluga
there are free phase identification programs, some of them in a spreadsheet some others as independent softwares.
Free crystallographic files are also available at COD (Chrystallographic Open Database), they are necessary to the identification procedure.
I personally use Match!, which is not free software; I have already tested some free options that work just fine with identification based on the CIF's files in the COD.
You may check the software packages from the Institute of Crystallography, Bari:
http://wwwba.ic.cnr.it/content/software
Sir: solution and refinement of small single-crystal structures using either X-ray or electron diffraction data.
IL MILIONE: a suite of computer programs devoted to protein crystal structure determination by X-ray crystallography.
EXPO2013: an integrated package for the indexation of a powder diffraction pattern, the extraction of integrated intensities, the space group determination, the crystal structure solution via Direct Methods and/or by a direct-space approach, and the structure refinement by the Rietveld technique.
QualX: a computer program for phase identification using powder diffraction data.
Quanto: a Rietveld program for quantitative phase analysis of polycrystalline mixtures from powder diffraction data.
Best regards
WNM
Dear Martin Aluga,
I usually use the X'Pert Highscore software. There are several tutorials on how to use it, and it has a good database.
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