UniQuant 1, 2, 3, 4, 5, 6, 7

UniQuant 1 was introduced in Spring 1989. The last update was 1.76.
The program was for 53 elements and gave semi-quantitative to quantitative results.

UniQuant 2
was introduced in 1992. The last update was 2.53.
The program deals with 76 element.
A lot of features were added for convenience and speed of operation.

UniQuant 3
was introduced in September 1995. The last update was 3.26.
Interelement corrections are coped with by employing the method of (Extended)
Fundamental Parameters (FP). As a result, for major and minor concentrations,
UniQuant 3 provides the highest possible analytical accuracies achievable in X-Ray
spectrometry. Such high accuracies only apply to perfectly homogeneous samples like
glass, beads, oils, polymers and many (but not all) types of alloys.
Like UniQuant 1 and 2, UniQuant 3 works with DOS.

UniQuant 4 has been introduced in September 1997, starting with version 4.00.
It works with Windows®95/98/2000 or Windows®NT
Trace analysis has been perfected by an improved background calculations which
are supported by interactive plots of the calculated background continuum and
spectral impurities.
The number of analyte elements is 79 (Pu and Am have been added)
The number of and analyte XRF lines is 114 (15 extra alternative lines were added).

UniQuant 5 has been introduced in January 2001, starting with version 5.00.
It works with Windows®95/98/ME/XP or Windows®NT/2000/2003 and Windows 7.n, Windows 8.n and Windows 10.n

For highest possible accuracy and in spite of heterogeneity effects, the new concept
of PARENT-daughter has been introduced. Special calibrations (daughters) can quickly
be made using calibration data of a PARENT calibration. Usually, just one or a few
standards are required for make a new daughter calibration, for example for pressed
powders of mineral samples belonging to a specific family.

Analysis of predefined compounds has been made more versatile. In the same way as
using SiKa for determination of the compound SiO2, one can now also use this
concept for Sulfides, Sulfates, Stearates and in general for any defined compound
that contains at least one XRF feasible element. In case it contains more than one
such element, a second element can be used to give a "second opinion". Versatility
is further increased by handling more complex cases, such as the analyte element
occurring in more than one compound.

UniQuant 6 has been introduced in April 2008, starting with version 6.02 and is for ED-XRF only.
It works with Windows®95/98/ME/XP or Windows®NT/2000/2003 and Windows 7.n, 8.n and 10.n

All benefits from the WD-XRF world combined in ED-XRF technology, same concept
of PARENT-daughter has been applied. Since the Quant'X is such a
simple and a consistent instrument, it is possible to work with a MOTHER or MASTER calibration.
Using only a set of 9 metal monitors + 1 cupper disk, the horizontal (Energy) and
vertical axis (Intensity)is calibrated. A turret of 10 positions is recommended for this.
Recommended is the use of vacuum to support the light elements.
For all versions of UniQuant, you may use any standard to futher improve your results.

UniQuant integrated (UQi) has been introduced in 2013 as an OXSAS module.
UniQuant was re-written in the modern C#
programming language ready for the decades to come.

UniQuant 7 has been introduced in November 2021, starting with version 7.02 and is for ED-XRF only.
It works on top of Windows® 10
and WinTrace version 10. New features will be introduced such as a reporting warning system, disabeling channels in the report or set a minimum and/or maximum concentration value. The introduction of a K-Compton line to assist in the selection in case of an unknown rest. All is prepared but not finished at time of writing. The method uses 9 groups now with the introduction of a thin carbon filter. It supports the Ketek SDD Graphene. Fluor is now done well and channels up to carbon are supported.


Major features and benefits

  Quantitative analysis of up to 79 elements with reporting of practical confidence intervals
  Standardless mode for research and trouble shooting
  Extended Fundamental Parameters (X-FP) for versatility and full concentration ranges
  Line overlap corrections using X-FP for reliable minor and trace analysis
  Variable sample mass for very thin up to thick samples
  Variable dilution for use of catch weights
  Determination of LOI or GOI in case of bead analysis
  Parent-Daughter principle for fast accurate calibrations
  Use of templates for minimal routine data entries
  User defined compounds in addition to oxides
  Supports Air filters, Layer thickness calculation


Analytical Benefits of UniQuant™

UniQuant™ is the only program that offers all of the following benefits combined:

  Quantitative analysis

  Truly standardless

Results are quantitative even if no standards are available.
Analytical accuracy depends on physical and geometric condition of the analyte sample.
  Confidence intervals
Each concentration and sample thickness is reported with a confidence interval.
Highest possible versatility with regards to types of samples.
- a small odd shaped object like a chunk of glass or a screw
- a dust filter of which both mass and composition are to be determined
- fused beads made by catch weights of flux and sample
- loose powders from 5 mg up to a few grams
- liquids like oil and aqueous solutions
- conventional samples like alloys and pressed powders in disk shape
- multi-layer samples of which the thickness of layers are to be determined.
All these samples can be evaluated with the same set of calibration data.

Example of the range of different samples
which can be analysed using UniQuant 5

  One universal measuring program
for up to 79 elements in totally unknown samples, spectrometer time being 10 to 20 minutes.
  One universal evaluation program
for all kinds of totally unknown samples with good analytical accuracy’s and detection limits.
  Sub Set programs
For known types of samples, the measuring program is easily limited to a sub set of the full set of analytical XRF lines, thus reducing spectrometer time to for example to 1 or 5 minutes. This is important for ‘routine’ samples and for radiation sensitive samples, such as certain types of polymers. In ED one may skip some parts of the spectrum.
  Use of standards
If standards are available, the calibration may be enhanced by regression analysis of a suite of standards. Highest possible accuracy’s are obtained when working with families of samples, each family having a very large range of composition, for example, a family containing all Fe-base or Co-base alloys.
  No waste of time
Most efficient use of time that the sample is irradiated.
No time is wasted at spectral positions of little interest.
UniQuant employs a smart variable step scanning over the entire spectral range at up to
100 spectral positions. In fact, conventional analysis does just the same albeit at smaller number of spectral positions. Using the ED version, the pectrum is devided in 8 groups, mesurement per group is simultanious, this enabled the use of many more background channels for a better result in finding the net peak.
  Low Detection Limits
When measuring times are optimised for the trace elements, UniQuant gives the same good detection limits as the conventional method, which are 3 to 10 times better as with fine step scanning.
  Sulphide / Sulphate
S Ka is measured at 2 spectral positions that differ by the chemical shift. This enables UniQuant to calculate %S present in Sulphide form and %S present in Sulphate form. This is for WD only
  Phosphide / Phosphate
Similar as previous point.
Although UniQuant acts as a black box in routine analysis, for the analyst it is transparent since he can in principle check calculations because all major variables and coefficients are readily available. UniQuant gives a full account of corrections made for background continuum, spectral impurities, spectral line overlaps and counting statistics including propagated errors.
Assuming that the spectrometer has been pre-calibrated at the factory or calibrated at site, a lot of information can be retrieved by UniQuant.
- Detection limits in mg/kg or mg/cm2 of any element in any type of sample can be
  accurately predicted without having done any special measurements.
- Studies can be made of intensity saturation in case of strong self-absorption,
- Study of the effect of varying sample thickness.
- For each calculated sample, UniQuant shows the measuring depth of each XRF line.
  If such value is small compared with grain size or crystallite size, there may be  a
  heterogeneity effect for that XRF line.
  Suitable for Production control
Routine samples can easily be analysed by dedicated personnel without specialised knowledge of the XRF technique.
Maintenance of calibration mostly involves a ‘Monday morning’ procedure of running about 5 monitor samples (10 minutes).


Technical Features of UniQuant™

  Operating System
UniQuant™ works with Windows®95/98/ME/XP/vista or Windows®NT/2000/2003
  National keyboards
If a non-English keyboard is installed, text can be entered in UniQuant's text fields including special national characters.
  Resizable UniQuant Window
At any time, UniQuant's main window can be sized to linear 50, 70 and 100% screen size and independent of the displays resolution!
  Changeable Background Color
The background color of UniQuant's window can be switched between grey metallic and black.
Each command button is normally operated by a left-mouse-click (alternatively by pressing just one single key). By a right-mouse-click (alternatively a shift-key) at the same command button, an extensive help file is displayed, specific for the selected command button.
By right-clicking at a free area of UniQuant's window, access is obtained to an Electronic Manual with guidance through calibration, maintenance and analysis of unknown samples. Part of this manual is a 'Cook Book' with recipe's and hints for specific applications, like 'Loose Powders', 'Beads' , 'Alloys' and 'Small Samples'.. The Cook Book is not finished and our intention is to keep working at it.
  Interactive plots
Many of UniQuant's tables can be plotted on screen and edited by means of the mouse.
Plots can be made for:

  Intensities versus XRF lines (ascending order of wavelength).
    The plot shows how UniQuant has drawn the line for background continuum. Sometimes,
    visual inspection is more powerful than the best algorithm. Therefore, the line for
    background continuum may be edited after which the sample is re-calculated for more
    accurate trace concentrations. Fortunately, such work is only rarely required.
  Concentrations versus XRF lines
    Useful to visualise the sample's composition at a glance. The vertical bars, one for each
    XRF line, are in Weight % is split up in parts, one for Equivalent Background Continuum,
    one for Spectral Impurity, one for Equivalent Total Spectral Line Overlap and the
    remaining part for the actual  Net Weight %.
  Instrumental sensitivities (Kappa's) versus XRF lines
    The plot shows if there would be any inconsistencies. For example, if Uranium, Thorium
    or Argon have not been calibrated, there Kappa values are not 'in  line' with the Kappa's
    of their neighbors. Such Kappa's (instrumental sensitivities) can then be edited to an
    interpolated value. Thus, with UniQuant, calibrations can even be made for elements
    that are not in the lab at all, such as Americium and Plutonium (hopefully).
  Helium factors versus XRF lines
  Film factors versus XRF lines
  Regression analysis value (contribution to K-factor) versus % Concentration.
    Editing is for exclusion or inclusion of a standards in the regression analysis.

Refining Kappa for CrKa by regression analysis, in table form (above)
and in graphical form (below).

Deleting/including a reference sample is by mouse operation.
K-factor= 0.008 indicates very high accuracy.

All plots are interactive. Any change in a plot automatically updates the associated table.
  Powerful Background Algorithm
UniQuant™ 5 employs a powerful algorithm for background calculation. Spectral Impurities are taken into account, such as for those caused by the anode lines. Even absorption jumps and diffraction 'humps' are accounted for.
  Spectral Line Overlap Corrections
UniQuant™ 5 employs a unique and proprietary method of tackling the problem of spectral line overlaps. It even solves the classical problem with Lanthanide ores and concentrates. It passed the ‘acid test’ on a many-element sample with 50 elements at 1.6% each.
  Physical Equation using 'Fundamental Parameters'
UniQuant™ makes calculations that are based on Physical Equations (PE) and parameters like the X-Ray tube’s spectral distribution and elementary mass absorption coefficients. This method is also referred to by the misnomer ‘Fundamental’ Parameters.
  Upward Compatibility
The files with measured intensities used with previous versions can be directly used by UniQuant 5.
  Pepper and Salt
UniQuant™ contains many 'Pepper and Salt' features, that have been implemented during long time UniQuant experience. Examples:
  Sending files to a local or remote hard disk (by function key F3).
  Convenient copying of data for one sample to another sample.
  Use of 'templates' of general data and settings for samples in a given family of samples.
  Forcing certain components to be treated as element in case they would otherwise be
    treated by UniQuant as oxide.
  Fixing any element or oxide to a specified concentration. Their effect on absorption and
    spectral line overlaps are taken into account irrespective of the fixed element is


  The Product

    A CD-Rom containing the UniQuant 5      
      program, data files and an electronic user manual

    A user licence

    A software protection device

    A set of calibration samples for initial setup|
     and routine maintenance

    Hardware accessories, such as sample masks       
      and centering rings to facilitate the presentation
      of wide variety of samples for WD only



UniQuant™ 1989...2021 is a trademark of Thermo Fisher Scientific Inc.
Copyright © 2021 Thermo Fisher Scientific Inc. All rights reserved.