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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.
Versatility
Highest possible versatility with regards
to types of samples.
Examples:
- 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.
Transparent
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.
Instructive
Assuming that the spectrometer has been pre-calibrated
at the factory or calibrated at site, a lot of information
can be retrieved by UniQuant.
Examples:
- 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
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.
Help
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.
E-manual
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
measured.
The
Product
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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
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