software, X-ray diffraction, DIFFRAC.SUITE

DQUANT Software - Features

Modes of operation:

  • Interactive set-up of the data evaluation method
  • „„ Interactive analysis of unknown samples in batch mode
  • „„ Fully automated analysis of unknown samples in console mode

 

Analytical models:

  • „„ Calibration method
  • „„ Addition method
  • „„ Ratio method
  • „„ Simultaneous analysis of XRD and Calcium XRF data
  • „„ Chung methods (Reference Intensity Ratio)

 

Intensity models:

  • „„ Manual (via keyboard)
  • „„ Single numeric (Calcium XRF data, measured at a fix position)
  • „„ Integrative (numeric integration by summation over a user
  • defined range)
  • „„ Interface to peak-fit results from DIFFRAC.TOPAS or
  • DIFFRAC.TOPAS BBQ

 

Intensity corrections:

  • Drift correction of primary XRD intensity and XRF proportional counter „„
  • Unified drift model covering the single peak for all, internal, and flexible method
  • Tabular and graphical monitor history
  • Absorption correction for thin specimen (filter papers)
  • „„Background correction

Standards:

  • „„ Number of standards not restricted by the DQUANT software
  • „„ Add standard without recalibration (i.e. re-measuring older standards)

 

Data types for calibration and unknowns:

  • „„Concentration of phases, the element Calcium, and concentration modules (value calculated from concentration via built-in formula editor)
  • „„Number of peak intensities per compound not restricted by the DQUANT software
  • „„Calibratable intensity module = values calculated from intensities via built-in formula editor

 

Calibration models and tools:

  • Regression curves up to 3rd order (constant, slope, square, cube) „„
  • All parameters selectable: used/unused and fix/refine „„
  • Weighting schemes: Unit weights, 1/sigma, 1/sigma squared
  • Linear multivariate regression
  • Intensity, concentrations and residuals chart
  • Calibration table with selectable standards for outlier elimination „„
  • Sequences (conditional calibration programs)

Unknowns calculation:

  • „„Number of unknowns in batch operation not restricted by DQUANT software
  • „„Single file or batch processing

 

Reporting:

  • „„Individual or combined reports for the calibration and the results of unknown samples
  • „„Connection to laboratory information systems and databases

 

Measurement:

  • „„Fully compatible with DIFFRAC.MEASUREMENT SUITE from version 3

 

Supported computer operation system:

  • „„Windows XP (32 bit), Windows 7, 8 and 10 (32 and 64 bit)

 

Language support:

  • English
  • „„French
  • „„German
  • „„Japanese
  • „„Chinese