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Refinements can be performed in several stages with different combinations of varied parameters.An automatic refinement procedure (Auto-prescale) is also
available and produces good ball park estimates for most samples as well as a
providing a basis for further refinements.
Siroquant contains an absorption/contrast correction
which is essential for quantitative phase analysis. Major analytical error can
occur without this correction.
The software uses Bragg-Brentano geometry calibration
curves, this is essential where strong low-angle XRD peaks are present.
Corrections of 2 x peak height are common at low angles. Siroquant allows
Rietveld analysis on minerals without a published crystal structure using a
unique program structure featuring observed HKL files. This allows the analysis
of poorly crystalline clays.
The program can be used to analyse mixtures of up to 25
minerals. (Cement analysis requires >15 phases). The program has includes
"Anomalous Dispersion" corrections for the correction of resonance effects in
the absorption of x-rays.
Siroquant has a robust least squares refinement scheme.
Automatic staged refinement was recommended by industrial users to allow
automatic plant analysis using a sequence of various refinements from a poorly
defined starting point. Up to 100 variables can be refined in each cycle. (Note:
refinement of an excessive number of variables in one stage increases the
probability of an incorrect fit).
There are around 1700 industrially important minerals in
the Siroquant data base. Additional phases can be added by users with a
background in Crystallography by following a set of instructions in the manual
or by Sietronics.
The manual has been assembled by users and technical
experts to provide an easy to follow reference and a strong technical reference
guide including a comprehensive list of references.
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