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ZDS system for DOS is an integrated environment of procedures
for complete and precise processing of powder diffraction patterns.
The core of the whole system is the graphic control center for
graphic editing of powder diffraction patterns and for
initialization of individual application procedures. The program
is designed to enable the user the maximum utilization of all procedures
with minimum effort. The ZDS system allows to import (export)
data for processing in step-scanned form directly from Philips
and Siemens diffractometers as well as data in ASCII formats. The
system is designed for PC IBM compatible with the 386 processors
and higher.
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- Graphic area
- user description of any part of graph
- automatic generation of peak position
descriptions
- optional vertical (linear or logarithmic) and
horizontal (Q or 2Q) axes scaling
- graphic area color assignment
- Profile details viewing - zooming
- Vertical and horizontal compression, expansion and shifts
- Immediate precise position readout of any place in the
profile (pattern)
- Selection of any part of the pattern for profile analysis
- Indication and graphic editing of peak positions
- Background subtraction (automatic or manual)
- Work with two independent patterns
- comparison (horizontal and vertical shifts)
- graphs subtraction and addition
- modified patterns saving on disk
- smoothing (gnostic filter, cubic spline function
and so on)
- Ka2
stripping (so-called Rachinger correction)
- Square root, logarithmic or divergence slit
intensity scaling
- Intensity correction for Lp and LpA -factor
- Pattern step size change
- Wavelength change
- Angular interval change
- Graphic joining of up to 10 patterns
- Generation of profile and/or pattern shape from different
profile shape parameters
- Pattern Evaluation
- Background calculation (manual/automatic)
- Peak hunting
- The first estimations of parameters for profile
fitting are calculated
- Peak tails finding
- Graphic editing (adding, deleting, shifting) of
evaluated peak position
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SEARCH/MATH - Qualitative
phase analysis
- User friendly graphic environment connected to current raw
data
- very easy to use
- Results graphically browsed in Graphic Editor
- Supported by PDF2 distributed on CD-ROM by the ICDD-JCPDS
- Limitation by possible chemical composition (forbidden /
force elements and ions)
- Sub-database selection
- Intensity preference parameter
- NEW! unique quasi-empirical criteria MATCH function
- Auto-calibration procedure for sample by standard
assignment
- Choice of °2Q tolerance limit
- Searching for mineral name, inorganic name, organic name
fragment, chemical composition, or card number
- Creation and editing of new user defined databases
Boolean Search
- User friendly, extremely easy to use
- Supported by PDF2 distributed on CD-ROM by the ICDD-JCPDS
- Boolean searching
- Subfile limitation (minerals, exposives, alloys, ...)
- Possibility to input a query using logical operators
joining following parameters: mineral name, inorganic
name, organic name fragment, forbidden/ force chemical
elements, ions or groups, mineral groups, CAS, principal
author, journal year, journal coden, color, density, reduced
cell, volume, crystal system, space group
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- Fully automatic analysis
- Data input: manually or from files
- Automatic joining of corresponding lines
- Automatic finding of non-overlapped lines
- Matrix calculation of absolute intensities of pure phases
- Concentration matrix
- Automatic control of expected number of phases
Quantitative combined XRD and chemical analyses
- Recalculation of chemical analyses to the model formulae
of phases present in mixture according to the results of qualitative
X-ray phase analysis
- Database of model formulae for basic soil minerals
provided
Quantitative XRD phase analysis using RIR
Fast semi-quantitative analysis
Very easy to use
User editable database of RIR constants provided
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- PSF available:
- Gauss
- Cauchy
- Modified Lorentzian
- Pearson VII
- Pearson VII - m (m = ax2 +bx + c)
- Pseudo-Voigt
- Manual/automatic setting and fixing of fitted parameters
- Options for PSF: singlet / doublet, split parameter for asymmetric
peaks
- Refined parameters for sole peaks:
- integral intensity
- peak position
- centroid position
- FWHM
- integral width
- standard deviation
- height in maximum
- variance
- Refined parameters for peak clusters:
- centroid position
- positions of multiplet maximum
- integral intensity
- FWHM
- asymmetry
- integral width
- height in maximum
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- Generation of reflections from:
- lattice parameters
- start and end generation limits
- Refinement of lattice parameters
- data input in d, °2Q,
°Q or Q
- editing and input of data in d, °2Q, °Q
or Q yielded directly from GEDIT or input manually
- 6 extrapolation functions
- control of refinement cycles
- Scanning - finding of optimum cell dimensions over input
range
- lattice parameters
- lattice symmetry
- start and end generation limits
- start, end and step values for each scanned
parameter
- selection of units (d, °2Q
or °Q) for
minimization function
- check on Z value
Self-indexing
- Finding of the unit cell from powder data
- usable for all lattice symmetries
- maximum expected parameter
- maximum expected cell volume
- expected symmetry
- check on Z value
- choice of zone
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- Profile data selected in Graphic Editor
- Variance method
- Single-line method
- Multiple-line method
- Instrumental effects elimination
- Considering crystallite shape
- Creation of output *.SIZ files
- Automatic elimination of peak background
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Deconvolution -
extraction of pure profile - DECON
- Separation of pure diffraction profile
- Direct matrix regression method
- Iterative folding method
- H, G profiles loaded from standard *.ZDS files
- H, G profiles generated from PSF parameters
- H, G profiles generated from manually set PSF parameters
- Fully automatic computation
- Output on screen or printer or into files
Numerical Integration - INTEGRAL
- Integration of marked-out multiplets
- Integration with/without background
- Automatic/manual mode
- History file
- Output on screen or printer or into files
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Tools, auxiliary programs
System and catalogue,
ZDS tools
- Catalogues and "User Area" system
- Export - import feature for Siemens, Philips, Seifert,
and Comphys lab. data file formats
- Raw pattern edit option
- Joining of d,I files
- Protocol printing from d,I files
- Editing of PSF parameters
- File moving and deleting in ZDS catalogues
- System of user configuration files
Pattern correction
- 2q calibration (correction for
external or internal standard)
- Linear regression
- Parabolic regression
- Interpolation
- Standards option
- Manual/automatic assignment of standard to sample
Plotting of
graphic editor data - PLOT
- Graphic output to HP compatible plotters
- Code in HPGL
- Output also to files
- Possible plot of any part of picture separately
- Serial or parallel connection
- User setting of pens, plotting area, rotation, and
velocity
Graphic outputs (SCRN_LPT)
- Dump of Graphic Editor area is possible in any time
- Graphic outputs to screen, printer or disk
- Printers supported:
- Matrix (9 or 24 pins)
- HP Laser Jet
- HP Desk Jet
- Bit-map graphic files (*.PCX) color, black & white or
reverse
- Module is automatically invoked during printing ZDS
protocols
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PRICING AND AVAILABILITY
- For recently available configurations, prices and
availability contact us at:
ZDS System
Biskupsky dvur 2
CZ-11000 Praha 1
Czech Republic
phone: ++420-2-2639636, ++420-2-5818740 - 7 ext. 210,
++420-2-5816741
fax: ++420-2-5818748
e-mail: ondrus@cgu.cz
URL:
Copyright © 1997 by ZDS System. All rights reserved.
Information in this document is subject to change without
notice.
Other products and companies referred to herein are
trademarks or registered trademarks of their respective companies
or mark holders.
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