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Cotización Nº HR -180812

Medellín August 17, 2018


Institución: Universidad del Norte
Atn: Señor Milton Manotas Albor
Teléfono: 35009509 Ext 3169
Correo: manotasm@uninorte.edu.co
Cuidad: Bogotá

En nombre de Nuestra Representada Exclusiva Bruker


Tenemos el gusto de cotizarle el D8 ADVANCE ECO Para entrega local

Especificaciones Técnicas

1. D8 ADVANCE ECO

D8 ADVANCE ECO DIFFRACTOMETER SYSTEM


The D8 ADVANCE ECO is an all-purpose X-ray analyzer which can be configured for all powder diffraction applications,
including phase identification, quantitative phase analysis, micro-structure and crystal structure analysis, residual stress and
texture investigations, X-ray reflectometry, and micro-diffraction, depending on accessories.

DAVINCI design
The new D8 ADVANCE ECO is a fully-featured X-ray diffractometer featuring a minimum ecological footprint, maximum ease
of use, and outstanding analytical performance. Full compatibility to the D8 diffractometer family guarantees flexibility for
the future as the system can be easily upgraded using the latest innovations either now or in the future as need for new
applications arise.

The D8 ADVANCE ECO facilitates a new, pioneering diffractometer design, making the instrument ideal for changing needs,
multiple user environments as well as high-end research:
• Extremely easy switch of all beam path components from the X-ray tube, through optics and sample stages to detectors
• Alignment- and tool-free switch between Bragg-Brentano geometry and Göbel mirrors (parallel and focusing geometries)
• All purpose: Unparalleled adaptability to any conceivable X-ray powder diffraction application with one instrument
D10_A08_F
D8 ADVANCE ECO DIFFRACTOMETER SYSTEM

The D8 ADVANCE ECO is an all-purpose X-ray analyzer which can be configured for all powder diffraction applications,
including phase identification, quantitative phase analysis, micro-structure and crystal structure analysis, residual stress and
texture investigations, X-ray reflectometry, and micro-diffraction, depending on accessories.

DAVINCI design
The new D8 ADVANCE ECO is a fully-featured X-ray diffractometer featuring a minimum ecological footprint, maximum ease
of use, and outstanding analytical performance. Full compatibility to the D8 diffractometer family guarantees flexibility for
the future as the system can be easily upgraded using the latest innovations either now or in the future as need for new
applications arise.

The D8 ADVANCE ECO facilitates a new, pioneering diffractometer design, making the instrument ideal for changing needs,
multiple user environments as well as high-end research:
- Extremely easy switch of all beam path components from the X-ray tube, through optics and sample stages to detectors
- Alignment- and tool-free switch between Bragg-Brentano geometry and Göbel mirrors (parallel and focusing geometries)
- All purpose: Unparalleled adaptability to any conceivable X-ray powder diffraction application with one instrument

Safety:
The D8 ADVANCE ECO is the safest instrument available on the market, requiring minimum efforts to obtain operation
permission by the local authorities. Please refer to your local regulations concerning X-ray analysis instruments and radiation
safety.

Goniometer:
The main component of the D8 ADVANCE ECO is its highly-accurate, high-precision, two-circle goniometer with independent
stepper motors and optical encoders for the Theta and 2Theta circles. The goniometer is operating in Theta/Theta mode thus
always keeping the sample in a horizontal position.

Alignment-Guarantee:
The D8 ADVANCE comes with an unique alignment guarantee as detailed in the "Instrument Verification Booklet": The
accuracy of each peak position is equal or better than ±0.01° 2Theta over the whole angular range. Before delivery and at
installation each instrument has to pass a strict test based on the internationally accepted Standard Reference Material
SRM1976 by NIST. This standard is always included with each instrument, to additionally enabling the user to monitor
instrument performance at any time.

Included in delivery:
- Radiation Safety Enclosure
- Base cabinet
- NIST Standard Reference Material SRM1976 (actual version at time of order)
D10_A01_9
COMPACT RADIATION SAFETY ENCLOSURE
The small footprint radiation safety enclosure combines a maximum of operating convenience and ergonomics with
excellent goniometer and sample visibility. The large swing door provides excellent access to the goniometer. Clearly visible
LED lights indicate the X-ray status. Smart screen key displays show the status of the instrument and ensure an intuitive
operation. The enclosure is illuminated by a series of dimmable, white LED's. Depending on configuration racks mounted
inside the enclosure provide easy access and storage space for optics and accessories. The enclosure offers an X-ray tight
labyrinth for feeding-through cables and hoses.
The enclosure hosts the controller interface to the goniometer and offers room for additional 19" control electronics. A series
of eight internal sockets assures a safe and clean cable management.

Safety:
The instrument complies with the requirements of the Machinery Directive 2006/42/EC. In addition, the instrument is in
conformity with the EC Directives 2006/95/EC relating to electrical equipment and 2004/108/EC relating to electromagnetic
compatibility.
Maximum X-ray safety is guaranteed due to two independent fail-safe safety circuits. The maximum radiation level is
significantly below 1 micro-Sievert/h under measurement conditions.
Dimensions:
Height x Width x Depth:
187 cm x 130 cm x 114 cm
73.5 inch x 51.2 inch x 44.7 inch
Weight: Approximately 750 kg (depending on configuration and accessories)

D10_A02_C
1 KW GENERATOR WITH INTERNAL COOLING
High stability, medium frequency design high voltage power supply for the X-ray tube. The generator is provided with a
routine for the automatic-burn-in of X-ray tubes to facilitate maximum tube lifetime.
The internal cooling unit fits into the enclosure and requires no external water cooling. The water unit is equipped with a de-
ionization filter to avoid the growth of algae.
Technical data:
- Maximum continuous power: 1 kW
- High voltage: 20-50 kV, adjustable in steps of 1 kV
- Current: 5-60 mA, adjustable in steps of 1 mA
- Stability: < 0.005% for high voltage and current with 10% variation of main supply

D10_A07_7
ELECTRIC SUPPLY
Electric supply: 200-230 V, 50/60Hz, single-phase.
Maximum power consumption: 2 kVA for IuS-based systems
Maximum power consumption: 3 kVA for D8 ADVANCE ECO and D8 QUEST ECO systems

D10_E12
POWER CABLE
10 m power cable for 200-230 V, 50/60 Hz, single-phase
For IuS-based systems (2 kVA), and D8 ADVANCE ECO and D8 QUEST ECO (3 kVA).
D10_A05_11
VERTICAL GONIOMETER
Highly-accurate, high-precision, two-circle goniometer with independent stepper motors and optical encoders for the Theta
and 2Theta circles. The goniometer is operating in Theta/Theta mode thus always keeping the sample in a horizontal position.

Technical data:
- Vertical goniometer, Theta/Theta geometry
- Measurement circle diameter (depending on accessories): Predefined positions at 500, 560, or any intermediate setting
- Angular range: 360° (without accessories)
- Max. useable angular range: -110° to 168° (depending on accessories)
- Angular positioning: stepper motors with optical encoders
- Smallest addressable increment: 0.0001°
- Maximum angular speed: 20°/s (depending on accessories)
- Accuracy: 0.005°
- Reproducibility: 0.0002°

D10_R17
CERAMIC TUBE KFF CU-2K, FINE, 1.5 KW CU
Cu-anode, fine focus, 1.5 kW, ceramic insulation body. Focus size: 0.04 x 8 mm.

D10_B11
TWIN OPTIC, PRIMARY, FOR CU RADIATION
The primary TWIN optic allows a software push-button, motorized switch between Bragg-Brentano and parallel beam
geometries, and consists of a motorized slit and a Göbel mirror.
The motorized slit is driven by a computer-controlled stepper motor and can be operated in a Theta-coupled mode to keep
the irradiated area on the sample surface constant. The length of the illuminated area can be chosen from 1 to 20 mm. This
slit can also be operated in a computer-controlled fixed mode with openings from 0.05° to 1.0°. The mode of operation can
be independently chosen from the host computer for each measurement.
The Göbel mirror is a 40 mm graded multilayer optics for Cu radiation, creating a highly parallel incident beam while
suppressing white radiation, Kß radiation, and even sample fluorescence.

D10_K28
CU ABSORBER 0.2 MM
Cu foil, thickness 0.2 mm, attenuation about 1:7900 for Cu-, 1:6300 for Mo-radiation.

D10_K18
CU ABSORBER 0.1 MM
Cu foil, thickness 0.1 mm, attenuation about 1:89 for Cu-, 1:80 for Mo-radiation.

D10_K45
NI FILTER FOR CU-Kß RADIATION (LYNXEYE DETECTOR)
Ni-foil, thickness 0.02 mm, to suppress Cu-Kß-radiation down to about 0.5% of Cu-K-alpha level.
D10_K02
AXIAL SOLLER SLIT - 2.5°
Axial Soller slit - 2.5°

D10_K41
SOLLER SLIT 2.5° (LYNXEYE DETECTOR)
Axial Soller slit - 2.5°.

D10_K11
PLUG-IN SLIT 1 MM
Plug-in slit 1 mm

D10_K09
PLUG-IN SLIT 0.6 MM
Plug-in slit 0.6 mm

D10_K07
PLUG-IN SLIT 0.2 MM
Plug-in slit 0.2 mm

D10_K06
PLUG-IN SLIT 0.1 MM
Plug-in slit 0.1 mm

D10_P02
ROTATING SAMPLE STAGE WITH UNIVERSAL CUP, ALIGNMENT SLIT AND CORUNDUM SAMPLE
Rotating sample stage with computer-controlled stepper motor. Angular ranges are 0-168° 2Theta in reflection mode, and -
10° to 110° 2Theta in transmission mode, dependent on accessories.
It is typically used to improve particle statistics and for the determination of crystal orientations via Phi scans.
Includes one a sample cup (reflection, 42 mm mask), glass alignment slit, corundum standard sample, and a double-sided
sample holder for either powder or small solid samples.
For transmission measurements the sample cup D10_P03 needs to be ordered additionally.

Technical data:
- maximum sample size: 51.5 mm diameter, 30 mm thickness
- rotation speeds: selectable by software up to 120 rpm
- smallest step width: 0.25°

D10_P03
TRANSMISSION SAMPLE CUP
Transmission sample cup with a powder-on-foil sample preparation tool and a glass alignment slit. This cup allows
transmission measurements from -10° to 110° 2Theta.

D10_P04
FLIP-STICK SAMPLE STAGE
The FLIP-STICK sample stage is a 9-position sample changer with sample rotation, which can be operated in both reflection
and transmission mode. Magazines, sample holders and accessories are not included and need to be ordered separately.
D10_P06
FLIP-STICK SAMPLE STAGE MAGAZINE
Flip-Stick sample stage magazine for operation in reflection and / or transmission mode for specimen holder rings with 8.5 mm
height, Ø 51.5 mm

D10_P05
ACCESSORY SET FOR FLIP-STICK SAMPLE STAGE AND AUTO CHANGER
Accessory set for FLIP-STICK sample stage and AUTO CHANGER, reflection mode. Includes 6 specimen holder rings PMMA with
8.5 mm height and 25 mm sample cavity, 3 specimen holder rings PMMA with 8.5 mm height and 40 mm sample cavity, a
Corundum standard sample for alignment purposes and a glass alignment slit.

C79298A3244D82
SET OF PMMA SPECIMEN HOLDERS, HEIGHT 8.5 MM, SPECIMEN WELL Ø 25 MM
Set of specimen holders made of PMMA with Ø 51.5 mm, 8.5 mm height, and specimen well Ø 25 mm.
Compatible with D2 PHASER with rotating sample stage.

C79298A3244D83
SET OF PMMA SPECIMEN HOLDERS, HEIGHT 8.5 MM, SPECIMEN WELL Ø 40 MM
Set of specimen holders made of PMMA with Ø 51.5 mm, 8.5 mm height, and specimen well Ø 40 mm.
Compatible with D2 PHASER with rotating sample stage.

C79298A3244D81
SET OF 9 SPECIMEN HOLDER RINGS FOR TRANSMISSION
A set of 9 specimen holder rings for the 9-position magazine for 8.5 mm high rings. The rings are work as two pieces to clamp
a transparent foil in between.

D10_P49
MOTORIZED ANTI-SCATTER SCREEN
The Motorized Anti-Scatter Screen is a fully software-controlled device for effective suppression of instrument background,
most importantly air-scatter at low angles 2q.
In the Bragg-Brentano geometry, the Motorized Anti-Scatter Screen can be used in both fixed as well as automatic mode.
The key feature in automatic mode is the fully software controlled, continuous retraction of the knife as a function of 2q to
prevent any cropping of the beam at higher angles 2q.
Fixed mode operation is supported for both the parallel as well as focusing Debye-Scherrer geometries.

Technical data:
- Bragg-Brentano geometry:
- Fixed as well as automatic operation. Automatic operation requires flat samples / sample holders.
- Suitable with rotating, Flip-Stick or Auto-Changer sample stages. Other stages on request.
- Support of fixed as well as variable beam divergence
- Requires operation on theta/theta goniometer
- Parallel and focusing Debye-Scherrer geometry:
- Fixed operation
- Suitable for operation in reflection geometry as well as transmission geometry (capillary sample holders only)
- Max. 2q range ~140° 2q, dependent on accessories, instrument geometry and instrument radius
Requirements:
- DIFFRAC.MEASUREMENT PACKAGE V4 or higher
- Measurement height 150mm
- One free port of a 4-axis motor driver board

D10_P32
ANTI SCATTER SCREEN
Anti-scatter slit assembly to reduce air scattering. Recommended when employing a 1-dimensional detector, particularly for
low angle measurements.

A13B71
fluorescent ring ø51,5x8,5

D10_S08
TWIN OPTIC, SECONDARY
The secondary TWIN optic allows a software push-button, motorized switch between Bragg-Brentano and parallel beam
geometries and consists of a motorized slit and a 0.2° Soller collimator.
The motorized slit is driven by a computer-controlled stepper motor and can be operated in a Theta-coupled mode to keep
the irradiated area on the sample surface constant. The length of the illuminated area can be chosen from 1 to 20 mm. This
slit can also be operated in a computer-controlled fixed mode with openings from 0.1° to 1.0°. The mode of operation can
be independently chosen from the host computer for each measurement.

D10_D14
SSD160 DETECTOR
The SSD160 detector is a 1-dimensional "compound silicon strip" detector for ultra fast X-ray diffraction measurements.
Implemented with the SSD160, high quality diffraction data can be acquired, more than 125 times faster than a conventional
point detector system. Developed on the base of the silicon strip detector technology, the SSD160 detector is particularly
optimized to meet the increasing demands in X-ray diffraction in terms of highest count rate capabilities and best angular
resolution. The SSD160 detector operates with all common characteristic X-ray emission lines (Cr, Co, Cu, Mo, or Ag
radiation). Sample fluorescence can be largely suppressed electronically to improve peak-to-background ratio.

Technical data:
- Active window: 12 mm x 16 mm
- ~2.5° 2Theta angular coverage at 500 mm measurement circle diameter
- maximum global count rate: >80,000,000 cps
- silicon strip detector with 160 channel; the detector may have one non-functional channel at maximum
- Cr, Co, Cu, Mo, and Ag radiation. Factory settings are optimized for Cu-K-alpha
- Efficiencies are >99% for Cr and Co radiation, >98% for Cu radiation, ~35% for Mo radiation and ~20% for Ag radiation
- Energy resolution: about 25%
- Spatial resolution (pitch): 75 micrometer
- Operational conditions:
- Temperature: 15°C - 30°C (avoid rapid changes)
- Humidity: max. 80% rel. H. (avoid any condensation)
D10_A06_C
PC, INTERNATIONAL VERSION, INTERNATIONAL OPERATING SYSTEM
Desktop-PC.

P500A101
DIFFRAC.MEASUREMENT CENTER
DIFFRAC.MEASUREMENT CENTER is a software package for easy and convenient acquisition of one- and two-dimensional X-
ray scattering and diffraction data. The MEASUREMENT CENTER provides a most convenient control and navigation center
for the D2 PHASER and D8 (with DAVINCI design) diffractometer families comprising a set of measurement and maintenance
plug-ins:
- COMMANDER: The control center for managing interactive as well as background measurements and display of all status
information of the diffractometer system
- WIZARD: Comfortable and intuitive creation of measurement tasks for powder diffraction, HRXRD, stress, and texture
applications.

*- DAVINCI: The intelligent virtual goniometer providing for true plug & play X-ray diffraction analysis for the D8 (with DAVINCI
design) diffractometer family
- JOBLIST / STARTJOBS: Comfortable job controller with build-in scheduler and history. Jobs can be stopped, deleted,
resumed, restarted and prioritized.
- CONFIG / TOOLS: Easy and intuitive instrument configuration
- DB MANAGEMENT: Centralized user's management and full audit trailing
The MEASUREMENT CENTER can access and control any number of D2 PHASER and D8 (with DAVINCI design) diffractometers
within a customer's network. Licensing includes installation on all customer's PCs to enable unlimited networked operation.
The software is multi-lingual; Chinese, English, French, German, and Japanese are supported. The user can switch between
these languages.
Either Windows 7, 8 or 10 (32 Bit or 64 Bit, respectively) are required for operation.

P500B111
DIFFRAC.EVA
DIFFRAC.EVA is a software for easy, fast and convenient interpretation of one- and two-dimensional X-ray powder diffraction
data. Unique to EVA is its full-pattern-approach to phase identification with an integrated, quantitative phase analysis
module. Optionally, elemental data (e.g. XRF) can be loaded for simultaneous analysis to successfully handle even the most
complex mixtures and trace phases readily.
Cluster analysis is provided to match and analyze powder diffraction patterns utilizing their full profiles. EVA provides an easy
to use interface to statistical methods to rank patterns in order of their similarity to any selected sample, allowing unknowns
to be quickly identified. Several charts, analytical tools and reports are provided.
The software is multi-lingual; Chinese, English, French, German, and Japanese are supported. The user can switch between
these languages.
Licensing includes installation on all customer's PCs to enable unlimited networked operation. The maximum number of
concurrent users is given by the number of licenses purchased.

General data evaluation options:


- Peak search and creation of peak data, e.g. for phase identification
- Manual and fully automatic background subtraction
- Data smoothing (Savitzky-Golay method or Fourier filtering)
- Kα2-stripping (Rachinger method)
- 2Th-offset and sample displacement corrections
- Calculation of mass absorption coefficients and corresponding X-ray penetration depth into the specimen
- Calculation of profile parameters such as line position, center of
gravity, integrated area, half width and more
- Crystallite size determination (Scherrer method)
- Addition, subtraction, scaling, normalization and merging of scans
- Simultaneous evaluation of multiple scans
- Undo / redo operations
- Support of variable counting time data

Phase identification and quantitative analysis options:


In combination with reference databases further powerful options are available:
- The following database are supported:
- ICDD PDF2, PDF4+, PDF4/Organics, PDF4/Minerals
- Crystallography Open Database (COD)
- User-defined databases
- Simultaneous search in multiple reference databases
- Search working on full-pattern and peak data
- Search for solid solutions and isostructural phases
- Highly sophisticated residual search
- Automatic consideration of 2Th-offset and sample displacement errors

*- Search by various selection criteria such as chemical composition, card quality marks, subfiles, and more
- hkl-generator for calculating peak positions based on lattice parameters and space group to aid identification of missing
or redundant specimen peaks
- Graphical adjustment of peak positions via tuning of lattice parameters e.g. to describe solid solutions
- Interactive overlay of the search results with the measurement data for easy evaluation
- Display of stick patterns as well as "Rietveld-type" tick marks with hkl-indices, if available
- Quantitative analysis based on RIR (reference intensity ratio) and spiking methods
- Degree of crystallinity determination
- "Combined XRD-XRF analysis": Validation and improvement of search as well as quantitative phase analyses results using
elemental analysis results; direct access to SPECTRAplus XRF databases, formatted ASCII-files, and more.

Advanced XRD^2 data evaluation and display options:


- Single 2-D frame integration over gamma and 2Theta with full frame, wedge, ring and line cursor
- Integration on merged 2-D frames with slice, wedge und ring cursor
- Multiple integrations on stackable 2-D frames with one click
- User configurable masks with angular or pixel coordinates
- "Rocking curve analysis" on stackable 2-D frames with various frame properties
- Frames are automatically grouped into mergeable or stackable lists
- For large zoom factors the 2-D view displays the number of counts inside the pixel areas

Data display and reporting options:


- Extremely powerful data highlighting and zooming options including advanced picture-in-picture (PIP) and vertical-in-
place (VIP) zooms
- Advanced data / results presentation using tables and charts (pie, stacked-bar, bar)
- 2D and 3D data representations (waterfall plots, iso-intensity plots)
- Creation of high quality analysis reports for direct printing
- Free customization of any plot and text properties for creation of publication-ready figures
- Data exchange options to and from any other Windows application: copy and paste, Windows bitmaps and metafiles
- Display and printout of all reference database patterns
- Cluster analysis
Applications include phase identification, pass / fail analysis, similarity analysis, automatic mixture and amorphous phases
detection.
Pattern matching options:
- Analysis of up to 2000 XRD patterns (about 10.000 with pre -screening)
- Compare all patterns with each other and also to a user-defined database
Data evaluation options:
- Background subtraction, Noise-reduction, Masking of unwanted 2theta regions, x-offset
Data visualization options:
- Color-coded cell displays (e.g. pass / fail grid, pie chart)
- Dendrogram display for similarity analysis
- Fully interactive rotatable 3D plots: Different samples of the same material are seen to clump together
- 6D plots to additionally display sample preparation information (e.g. solvents, reaction times, etc.) using different point
colors, shapes, sizes, ...
- Pattern overlays

Data exchange and print options:


- Entirely automatic creation of reports incorporating program settings, results, and screen-shots from the graphical results

The Crystallography Open Database is part of the DIFFRAC.EVA distribution and can be optionally installed from the CD.
Licenses for any ICDD PDF reference databases are not included and have to be ordered separately.
Either Windows 7, 8 or 10 (32 Bit or 64 Bit, respectively) are required for operation.

P500E111
DIFFRAC.TOPAS
DIFFRAC.TOPAS is a software for analysis of X-ray and neutron powder and single crystal diffraction data. TOPAS integrates all
currently employed profile fitting techniques and related applications, including
- Single Line Fitting up to Whole Powder Pattern Fitting
- Whole Powder Pattern Decomposition
- Indexing
- Structure determination and refinement
- Microstructure analysis
- Quantitative phase analysis
- Pair Distribution Function (PDF) analysis

Licensing includes installation on all customer's PCs to enable unlimited networked operation. The maximum number of
concurrent users is given by the number of licenses purchased.
Either Windows 7, 8 and 10 (32 Bit or 64 Bit, respectively) are required for operation.
The distribution package contains both 32 Bit and 64 Bit executables with full support of multithreading.
Measurement Data
* Bragg diffraction (powder, single crystal) and PDF data
* Laboratory- and synchrotron X-ray data; angle- as well as energy dispersive
* TOF and angle-dispersive neutron data
* Joint refinements of an unlimited number of Bragg diffraction (powder, single crystal) and PDF data sets in all combinations
*Joint refinement of X-ray and neutron data
* Joint refinement of powder and single crystal data
* Joint refinement of Bragg diffraction and PDF data
* Variable Counting Time (VCT) and Variable Step Size (VSS) support
* Refinement Models and Parameters:
* Refinement of an unlimited number of predefined or user-defined refinement models and parameters
* All parameters can be refined, fixed, constrained, restrained, or penalized
* "Parametric Refinements": Refinement of non-crystallographic quantities such as temperature, rate constants, activation
energies, etc.
* No parameters turn-on sequence required

Line Profile Shape Modelling:


* Convolution based profile fitting (2Theta- and Fourier space)
* Modelling of both isotropic and anisotropic line profile shapes
* Choice between empirical line profile shape modelling or explicit characterization of instrument and sample contributions
(Fundamental Parameters Approach (FPA), WPPM)
* Support of measured and calculated instrument functions
*Absorption edge modelling

Indexing:
* LSI method
* Operates on 2q or d-values
* Zero-point error consideration
* Weighting of reflections using observed peak intensities or user-defined weights
*Relatively insensitive to impurity peaks, missing high d-spacings, extreme lattice parameter ratios as well as large d-spacing
and zero point errors
* Fully automated Pawley or LeBail fitting of all or user-selected solutions
* Highly sophisticated graphical representation of results such as display of observed versus calculated reflections including
assignment of indexed and unindexed reflections, Goodness-of-Fit versus volume plots and much more
*LPSearch indexing method
* Monte-Carlo based Whole Powder Pattern Decomposition approach
* No 2q or d-spacing extraction required, LPSearch does not use peak positions
* Particularly suited for indexing of poor quality powder data, where reliable 2q or d-spacing extraction is difficult or even
impossible

Whole Powder Pattern Decomposition:


*Pawley and Le Bail methods
* Preferred orientation correction (applicable when relative intensities are known, e.g. PONKCS method)
Structure Determination and Refinement: General
* "Parametric Structure Refinements" such as "Symmetry (Distortion) Mode Refinements" and much more
* User-defined constraints, restraints and penalties for bond lengths, bond angles, and torsion angles
*(Semi-)Rigid bodies:
* Cartesian, fractional and internal (z-matrix notation) coordinates
* All rigid body parameters can be individually refined, constrained, restrained, and penalized: Translations, rotations, bond
lengths, bond angles, torsion angles, temperature factors, occupancy factors, ...
* Support of user-defined / refinement of X-ray scattering factors and neutron scattering lengths
Structure Determination and Refinement: Bragg Diffraction Data
*Choice of step intensity data or structure factors
* Methods for structure determination:
* Global Optimization - Monte Carlo
* Global Optimization - Simulated Annealing
* Charge Flipping (X-ray and neutron data)
* (Difference) Fourier Analysis
* Methods for structure refinement:
* Rietveld method
* "Two-step" method
* Refinement of magnetic structures
* Refinement of anisotropic temperature factors
* Preferred orientation correction (structure determination and refinement):
* March-Dollase (two directions)
* Spherical Harmonics

Structure Determination and Refinement: PDF Data


All relevant TOPAS functionalities for Bragg refinements are available for PDF refinements as well, e.g.
* Multiple datasets / joint refinements
*Simulated annealing
* Small and big box modelling
* Shape refinements
* Instrument resolution functions
*and much more

Quantitative Phase Analysis:


Wide range of whole pattern methods for quantitative analysis of both amorphous as well as crystalline phases:
* Traditional Rietveld method
* Internal standard method
* External standard method
* PONKCS method
*"Pattern Scaling" ("FULLPAT") method
* "Degree of Crystallinity" method

Accurate and reliable QPA is further facilitated by a series of associated features:


* Calibration of results obtained with any of the above methods
* Elemental composition calculation
*Specialized constraints, restraints, and penalties:
*- Instrument function approach
*Calculated and measured patterns

(background, crystalline phases, amorphous phases)


* Parametric refinements of the sample chemistry, e.g. via Vegard's law
* Constrained / restrained / penalized phase composition
* Constrained / restrained / penalized elemental composition
* Automatic removal of phases below user-defined threshold concentrations during refinement
* Mass absorption coefficients always calculated to enable identification of potential microabsorption issues
* Brindley correction of microabsorption effects
Microstructure Analysis:
* Isotropic as well as anisotropic microstructure analysis in 2Theta and Fourier space
* Methods for quantitative analysis of isotropic crystallite size and microstrain:
*Double-Voigt" method (crystallite size and microstrain)
*WPPM method (crystallite size)
* Methods for empirical or phenomenological modelling of anisotropic microstructure effects:
* Stephens Model" (anisotropic microstrain)
* Ufer Model" (turbo stratic disorder)
*and many more ...
* Structure determination and refinement of stacking faulted materials
* Graphical Tools:
*(Pseudo) 3D plots of multiple data sets
* Waterfall plots (XY-offsets: pseudo-3D)

* Surface and contour plots (XY-offsets: pseudo-3D)


* Freely rotatable 3D plots
* Animated 3D-display of crystal structures and electron densities
*Rigid body editor
* Normals Plot" window for the display of lattice plane normals with the lengths of the normals defined by some function
representing, for example, anisotropic microstrain and preferred orientation
*Color coded correlation matrix display with display of parameter values and errors
* Cumulative Chi2" display
* Graphical display of anomalous scattering factors

Background Models:
* Chebyshev polynomial of n'th order
* Single peaks (PV, SPV, PVII, SPVII, Gauss, Lorentz, Voigt, FPA)
* 1/x-type background
* Modulated background (Sin Q/Q)
Minimization Procedures:
* Marquardt
* BFGS method
* Line minimization
* Extrapolation
* Sparse matrix method
*The bootstrap method of error determination
*Robust Refinement"
Miscellaneous:
* Powder pattern calculation
*Support of crystal structure data via CIF (IUCr Crystallographic Information File)
* Support of ICDD PDF and user defined d-I data via DIF files
* Support of ShelX HKL files
* Fully automated operation possible
Flexible Macro Language:
* Computer algebra system for function minimization and for the application of linear and non-linear constraints, restraints
and penalties
* Support of user-defined
*refinement models / refinement parameters
* constraints / restraints / penalties
*minimizations schemes,
*weighting schemes,
* and much more ...

COD Database for TOPAS:


* Always included, free-of-charge; upgrades are freely available via www.brukersupport.com
* Subset of the COD Database (www.crystallography.net; Grazulis et al., 2009)
* Limited to inorganics
* Currently 62.720 entries (8.379 non-ambient)
* All entries converted in TOPAS "STR" format
* All crystallographic constraints taken into account: Lattice parameters, special positions (!)
* Compatible with all TOPAS versions

BRE-442
CAPTON FOIL 7.5 µm
Size 7.6 cm X 15.2 m

Subtotal
Referencia Producto Cant Valor Unitario
COP

D10_A08_F D8 ADVANCE ECO 1 $808.076.576 $808.076.576

Standard cabinet and enclosure,


D10_A01_9 1 Incluido
1kW, ADVANCE ECO

1 kW Generator, tube housing,


D10_A02_C 1 Incluido
with internal cooling water-air

200-230V 1p 50/60Hz, for IMS 2


D10_A07_7 1 Incluido
kVA and ECO 3kVA
10 m power cable for 200-230V
D10_E12 1p 50/60Hz, for IMS 2kVA and 1 Incluido
ECO 3kVA

D10_E03 4-axes motor driver board 2 Incluido

Vertical goniometer for ADVANCE


D10_A05_11 1 Incluido
ECO

Tracks Theta-Theta, standard


D10_V01 length (ADVANCE), incl. Theta- 1 Incluido
Theta ring for vertical goniometer
Tube mount adapter for line
D10_A03_18 focus optics Cr, Co, Cu, 1 Incluido
ADVANCE ECO

Tube mount, one degree of


D10_V05 1 Incluido
freedom

D10_S01 Optical bench, secondary 1 Incluido

Universal detector mount without


D10_M52 1 Incluido
slit for ADVANCE ECO
Spacer for measurement height
D10_M04 1 Incluido
150mm, secondary beam path
Spacer for universal detector
D10_M11 mount, measurement height 1 Incluido
150mm

D10_V16 Goniometer podium, 110 mm 1 Incluido

Counter balances for D8


D10_V15 Theta/Theta, tube and detector 1 Incluido
circle - Transmission
Ceramic tube KFF-Cu-2K, fine
D10_R17 1 Incluido
focus, 0.04 x 8 -- 0.4 x 0.8

D10_B11 TWIN optics, primary 1 Incluido

D10_K28 Cu absorber 0.2mm 1 Incluido

D10_K18 Cu absorber 0.1mm 1 Incluido

Ni filter for Cu-Kß radiation,


D10_K45 1 Incluido
0.02mm

D10_K02 Axial Soller - 2.5° 1 Incluido

D10_K41 Soller Slit 2.5 deg for LynxEye 1 Incluido

D10_K11 Plug-in slit 1mm 1 Incluido

D10_K09 Plug-in slit 0.6mm 1 Incluido

D10_K07 Plug-in slit 0.2mm 1 Incluido

D10_K06 Plug-in slit 0.1mm 1 Incluido


Rotating sample stage with
D10_P02 universal cup, alignment slit and 1 Incluido
Corundum sample
D10_P03 transmission sample cup 1 Incluido
Flip-Stick sample stage, excl.
D10_P04 1 Incluido
Magazine

Flip-Stick sample stage magazine,


reflection/transmission, for
D10_P06 1 Incluido
specimen holder rings with 8.5mm
height and Ø 51.5mm.
Accessory set for Flip-Stick and
Auto-Changer : Corundum
sample, alignment slit, 6
D10_P05 1 Incluido
specimen holder rings PMMA
C250, 3 specimen holder rings
PMMA C251

D10_P03 transmission sample cup 1 Incluido

Set of 10 specimen holder rings,


C79298A3244
PMMA, height 8.5 mm, specimen 1 Incluido
D82
well Ø 25 mm

Set of 10 specimen holder rings,


C79298A3244
PMMA, height 8.5 mm, specimen 1 Incluido
D83
well Ø 40 mm

Set of 9 specimen holder rings for


C79298A3244
transmission, PMMA, height 8.5 1 Incluido
D81
mm

D10_P49 Motorized anti-scatter screen 1 Incluido


Scatter screen for P01, P02, P04,
D10_P32 1 Incluido
P08, P26

A13B71 Fluorescent ring ø51.5x8.5 1 Incluido

D10_S08 TWIN optics, secondary 1 Incluido

Computer, international version,


D10_A06_C 1 Incluido
international operating system

P500A101 DIFFRAC.MEASUREMENT CENTER 1 Incluido

DIFFRAC.EVA with university


P500B111 1 Incluido
discount (10 licenses)

WIB-1001-01-
WIBU Dongle for DIFFRAC.SUITE 1 Incluido
130

BRE-442 Captonfoil 7,5 µm 1 Incluido

W1000 One Year Warranty 1 Incluido

SUBTOTAL $ 808.076.576
IVA $ 153.534.549
TOTAL $ 961.611.125
NOTA:

*Como parte de nuestro procedimiento ISO cada sistema se somete a un procedimiento de prueba completo para
comprobar la funcionalidad y el rendimiento del sistema.

*Después de que el instrumento haya pasado la prueba interna del sistema, los mismos parámetros serán confirmados en el
sitio para la aceptación final. Los parámetros de aceptación se pueden descargar desde
www.brukersupport.com/BrukerDownloads/1.

* La instalación está incluida dentro de esta cotización y será realizada por personal especializado.

* El equipo tiene un año de garantía

Condiciones comerciales

Validez de la oferta 30 días

Plazo de la entrega 5 Meses después de confirmado el Anticipo.


Forma de pago 50% anticipo, 50% Contradocumentos de Embarque

1 año por defectos de Fabricación


Garantía
A partir de la fecha de instalación y entrega a satisfacción.
Término de Entrega: Entrega Local, Universidad del Norte
Instalación y
Incluida en esta cotización por Parte de Personal especializado.
capacitación
Atentamente,

Helena Rincón
Gerente Unidad de Negocio
Ciencias de los Materiales, Equipos Robustos y Analíticos.
materiales@anditecnica.com
PBX: (57 4) 416 40 40

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