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Prophet User Manual Version 3.10Nicola Dublin September 15, 2016Contents 1. Introduction6I.7Installation and Setup2. Installation72.1. Windows. . . . . . . . . . . . . . . . 2.2. Linux. . . . . .
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How to fill out rietveld refinement - profex
01
To fill out Rietveld refinement using Profex, follow these steps:
02
Open Profex software on your computer.
03
Import the crystal structure data file (.cif) for the material you want to analyze.
04
Import the experimental data file (.dat) which contains the measured diffraction pattern.
05
Set the refinement parameters such as background model, peak shape, etc.
06
Initiate the refinement process and wait for it to complete.
07
Examine the refined parameters, such as lattice parameters, atomic positions, and thermal parameters.
08
Analyze the goodness-of-fit indicators, such as Rietveld R-factor, to assess the quality of the refinement.
09
Optionally, make adjustments to the refinement parameters and repeat the refinement process if necessary.
10
Save the refined crystal structure file for further analysis or publication.
Who needs rietveld refinement - profex?
01
Rietveld refinement using Profex is useful for scientists, researchers, and engineers who are working in the field of crystallography and material science.
02
It is particularly beneficial for those who want to determine the crystal structure of a material using X-ray or neutron diffraction data.
03
Profex assists in accurately refining crystal structures, determining atomic positions, lattice parameters, and thermal parameters with high precision.
04
This refinement method is widely used in the analysis of crystalline materials, including minerals, metals, alloys, ceramics, and pharmaceutical compounds.
05
Researchers in various disciplines including chemistry, physics, materials science, geology, and archaeology can benefit from Rietveld refinement using Profex.
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What is rietveld refinement - profex?
Rietveld refinement is a technique used in crystallography to refine the crystal structure of a material by fitting the observed diffraction pattern with a calculated one.
Who is required to file rietveld refinement - profex?
Scientists and researchers working in the field of crystallography are usually required to file Rietveld refinement - profex.
How to fill out rietveld refinement - profex?
To fill out Rietveld refinement - profex, one needs to input the experimental data, structure model, refinement parameters, and other relevant information into the appropriate software.
What is the purpose of rietveld refinement - profex?
The purpose of Rietveld refinement - profex is to accurately determine the crystal structure of a material by refining the parameters that describe its atomic arrangement.
What information must be reported on rietveld refinement - profex?
Information such as experimental diffraction data, atomic coordinates, thermal parameters, and occupancies must be reported on Rietveld refinement - profex.
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