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DQUANT Software

Quantitative phase analysis for routine applications and process control

DIFFRAC.DQUANT is the BRUKER software for quantitative phase analysis from X-ray diffraction data. It uses one or more diffraction peaks instead of the entire diffraction pattern to establish calibrations from standard reference samples.

 

DQUANT is a complete package that covers calibration models, data correction and evaluation routines. It is fully integrated in the DIFFRAC.SUITE software package for measurement and data evaluation.

DQUANT Advantages

  • Accurate and precise through calibration against known reference materials
  • No systematic errors caused by micro-absorption effects
  • Simple to use with virtually no operator training required
  • High flexibility of analytical methods via definition of modules and built-in formula editor (e.g. used for absorption correction of filters as requested by NIOSH 7500)
  • Fast (no full scans needed, just individual peaks)
  • Supports high sample throughput (automation, sample changers, automated data evaluation)
  • Direct combination with Ca XRF analysis
  • Delivers absolute (from μg to g) and relative concentrations (wt-%)

DQUANT is part of the DIFFRAC.SUITE Part 11 package. The software fully complies with the cGxP/21 CFR Part 11 requirements of the pharmaceutical industry.

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

Quantitative analysis from calibration to reporting

The new DQUANT is the ideal tool for both, experienced lab managers and operators running the daily jobs. The software comes with predefined work-flows to setup the following analytical methods:

  • Calibration with reference materials
  • Drift correction
  • Modules and logical sequences
  • Addition method
  • Absorption method for filter sample holders (NIOSH 7500)
  • Ratio method

Whereas the calibration always has to be defined interactively, unknown samples may either be evaluated in a simplified graphical user interface, or fully automated in the console mode after the refinement has been finished. Read more about:

Keep your DIFFRAC.DQUANT current

Free Maintenance Update

The free DIFFRAC.DQUANT Maintenance Update renews your DQUANT version to the most recent release. Regardless of your DQUANT version, you can always download the latest Maintenance Update from www.brukersupport.com, free-of-charge!

Bugfixes

By keeping your DIFFRAC.DQUANT current, you will benefit from all bugfixes made for the current but also all previously released versions. DIFFRAC.DQUANT Maintenance Updates are cumulative and can therefore be applied to any previous version.

Version

The current version of the software is DIFFRAC.DQUANT V1.5.

What are Updates?

DIFFRAC.DQUANT Maintenance Updates do not come with new features. If you want to benefit from features introduced in new major releases you need to purchase the latest DIFFRAC.DQUANT upgrade.

Download process

  • Register at Bruker Customer Support
  • Click on the "Software" button
  • Search for the DIFFRAC.DQUANT Maintenance Update
  • Download the update