Siroquant

Siroquant is currently being used by many industrial, scientific and academic organisations around the world. It has a logical user friendly Windows interface including extensive on-line help.  The system is equally useful for industrial and research applications.Version 3 Released:

The full release version of Siroquant 3 is now available for download for users of the beta versions.  Click here for the download page.  Please note that this program will not work without the hardware dongle and so only legitimate Siroquant users should download the program.

Technical details:

Profile Functions:
Siroquant supports Gaussian and Lorentzian (and any mixture of the two) peak shapes using the Pearson VII and Pseudo-Voigt profile functions. The March preferred orientation parameter is also refinable.

Refinable Profile Parameters:

  • Phase Rietveld scales
  • Line asymmetry
  • Preferred orientation
  • Line-width parameters, U1, V1, W1 & U2, V2, W2. (Note: Two line-width functions are allowed for each phase)
  • Instrument zero
  • Pearson M or Pseudo Voigt shape functions
  • Unit cell dimensions (a, b, c, alpha, beta, gamma).

 

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.

Rietveld Made Easy

This book is designed as a practical guide to the fundamentals of crystallography as applied to Rietveld analysis and is a essential companion to the User Guide supplied with Siroquant.  The table of contents and introduction are available here.