AXES 2.0B
(for DOS 5.0 and up):
Tools and commands
|
Characteristics
|
Pattern data Import/Export
Imp denotes that import is available.
Exp denotes that export is available.
8 filters |
-
AXES Binary (Imp/Exp),
-
XRS 82 (Imp/Exp),
-
ICDD *.REF (Imp/Exp),
-
ICDD *.PD3 (Imp/Exp),
-
Y only (e.g. FULLPROF *.BAC) (Imp/Exp),
-
X-Y pairs (e.g. WYRIET *.CAL) (Imp/Exp),
-
FULLPROF *.DAT (Imp/Exp),
-
FULLPROF *.PRF (Imp/Exp).
|
Peak Data Import/Export
6 filters |
-
AXES Binary (Imp/Exp),
-
AXES ASCII (Imp/Exp),
-
TREOR (Imp/Exp),
-
LSUCRE (Imp/Exp),
-
PowderCell *.d_i (Imp),
-
PowderCell *.2i (Imp).
|
Maximum number of points
per pattern: 8000 |
Maximum number of peaks
per pattern: 300 |
Structure data Import/Export
2 filters |
-
FULLPROF *.pcr (Imp/Exp),
-
PowderCell *.inp (Imp/Exp).
|
Graphical User Interface (GUI) |
Full set of commands for a graphical
work with a pattern (Zoom In/Out, Insert/Delete, Save ASCII for GRAPHER). |
Print Graphics |
External, export data files for:
|
Pattern Preprocessing |
-
Smoothing,
-
Strip background and Kalpha2,
-
Detect peaks,
-
Print preprocessing parameters,
-
Accept peaks,
-
Accept all.
|
Manual Background Detection |
Interpolation by a cubic spline.
Commands: Mark, Subtract, Import, Export. |
Compare Patterns |
Up to 4 Peak or Pattern arrays:
Import, Scale, Shift, Sum, Difference,
Export Sum & Difference,
Exchange the Peak and Pattern data. |
Peak Fitting |
Individual peak fitting, up to 178
free parameters.
Eight peak shape functions:
-
Gaussian,
-
Lorentzian,
-
Intermediate Lorentzian,
-
modified Lorentzian,
-
Pearson VII type with split- and common
exponents,
-
pseudo-Voigtian,
-
asymmetric pseudo-Voigtian (FCJ pseudo-Voigt).
Three background models:
-
polynomial (up to 3 order),
-
Toraya,
-
modified Toraya.
|
Pattern Simulation |
Internal: all peak/pattern models from
peak fitting dialog.
External:
|
Peak Editor |
Edit/Delete/Insert parameters of up
to 300 peaks. |
Indexing |
External:
|
Lattice Refinement |
External:
|
Unit Cell Parameters |
Commands:
-
Edit, Lattice type, Systematic extinctions,
-
Reflection generation (all systems, up
to 2500 reflections).
|
Structure Data Editor |
Edit and prepare parameters and codewords
of a FULLPROF (for version 3.5) *.PCR file. |
Crystallite Size/Strain |
Voight analysis + Williamson-Hall plot;
cylindrical and spherical shape models.
|
Structure Refinement |
External:
|
Structure Visualization |
External:
|
List of External Programs Linked with
AXES |
-
User_TextEditor,
-
WordPerfect, DrawPerfect,
-
WP-Presentation,
-
TREOR,
-
LSUCRE,
-
PowderCell,
-
FULLPROF,
-
PERTABLE.
|
Online Help |
Context sensitive Help for most of
commands, buttons and parameters. |
Other Commands |
-
DOS shell,
-
Print/Save/Retrieve Parameters,
-
Save/Retrieve State,
-
Edit Sample/Diffr./Measurement parameters,
-
Change directory,
-
Calculator,
-
Hardware parameters: printer/mouse/ screen/graphics,
-
Reset all.
|
|
AXES 2.0A (for
DOS 5.0 and up):
Tools and commands
|
Characteristics
|
Pattern data Import/Export
Imp denotes that import is available.
Exp denotes that export is available.
28 filters |
-
AXES Binary (Imp/Exp);
-
Diffrac-AT 1 & 3 (Imp/Exp);
-
PEAK 91 (Exp);
-
DBWS+WYRIET 2/3 (Imp/Exp);
-
RIETAN (Imp/Exp);
-
XRS 82 (Imp/Exp);
-
Allmann DIFFRAC (Imp/Exp);
-
ICDD *.REF (Imp/Exp);
-
ICDD *.PD3 (Imp/Exp);
-
SCANPI (Imp);
-
Y only (e.g. FULLPROF *.BAC) (Imp/Exp);
-
X-Y pairs (e.g. WYRIET *.CAL) (Imp/Exp);
-
DiffracINEL (Imp);
-
HUBER G600 v5.13 (Imp);
-
Synchrotron SRS (Imp);
-
PROFIT (Imp/Exp);
-
FULLPROF *.DAT (Imp/Exp);
-
FULLPROF *.PRF (Imp/Exp);
-
Guinier Tübingen 1 (Imp);
-
Guinier Tübingen 2 (Imp);
-
GSAS standard type (Imp/Exp);
-
DIFFaX data (Imp);
-
Philips data *.RD (Imp);
-
Seifert ASCII data (Imp);
-
EXTRA ASCII data (Imp/Exp);
-
STOE Binary data (Imp/Exp);
-
Siemens UXD (Imp/Exp);
-
Philips UDF (Imp).
|
Peak Data Import/Export
15 filters |
-
AXES Binary (Imp/Exp);
-
AXES ASCII (Imp/Exp);
-
DIFFRAC 1&3 (Imp/Exp);
-
PEAK 91 (Imp);
-
ITO (Exp);
-
TREOR (Imp/Exp);
-
DICVOL (Exp);
-
LSUCRE (Imp/Exp);
-
Grapher (Exp);
-
ICDD *.RED (Exp);
-
Allmann LATCO (Imp/Exp);
-
Lazy-Pulverix (Imp);
-
XLAT (Exp);
-
PowderCell *.d_i (Imp);
-
PowderCell *.2i (Imp);
|
Maximum number of points
per pattern: 15500 |
Maximum number of peaks
per pattern: 300 |
Structure data Import/Export
8 filters |
-
ICSD *.txt (Imp/Exp);
-
FULLPROF *.pcr (Imp/Exp);
-
LazyPulverix *.inp (Exp);
-
PrecPlot *.inp (Exp);
-
Schakal *.inp (Exp);
-
MOLDRAW *.mol (Imp/Exp);
-
PowderCell *.inp (Imp/Exp);
-
GSAS *.exp (Imp).
|
Graphical User Interface (GUI) |
Full set of commands for a graphical
work with a pattern (Zoom In/Out, Insert/Delete, Save ASCII for GRAPHER). |
Print Graphics |
External, export data files for:
-
Grapher;
-
WordPerfect Presentation.
|
Pattern Preprocessing |
-
Smoothing;
-
Strip background and Kalpha2;
-
Detect peaks;
-
Print preprocessing parameters;
-
Accept peaks;
-
Accept all.
|
Manual Background Detection |
Interpolation by a cubic spline.
Commands: Mark, Subtract, Import, Export. |
Compare Patterns |
Up to 16 Peak or Pattern arrays:
Import, Scale, Shift, Sum, Difference,
Export Sum & Difference;
Exchange the Peak and Pattern data;
FingerPrint HPGL output;
PatternPrint HPGL output. |
Peak Fitting |
Individual peak fitting up to 178 free
parameters;
Whole pattern fitting, 150 peaks;
Eight peak shape functions:
-
Gaussian,
-
Lorentzian,
-
Intermediate Lorentzian,
-
modified Lorentzian,
-
Pearson VII type with split- and common
exponents,
-
pseudo-Voigtian,
-
asymmetric pseudo-Voigtian (FCJ pseudo-Voigt);
Three background models:
-
polynomial (up to 3 order);
-
Toraya;
-
modified Toraya.
|
Pattern Simulation |
Internal: all peak/pattern models from
peak fitting dialog;
External:
-
LAZY-PULVERIX,
-
PowderCell.
|
Pattern Manipulation |
Edit, Scale, Compress, Scissors, Merge. |
Peak Editor |
Edit/Delete/Insert parameters of up
to 300 peaks. |
2theta Calibration |
Peak and pattern shift on the bases
of a measured SRM data; internal database includes data of 11 SRM's. |
Intensity Calibration |
Calculation of Instrument Sensitivity
Correction Function (ISCF) and applying it for correction of measured intensities.
Internal database includes data for 11 SRM's. |
Phase Analysis (Search/Match) |
Internal:
-
Search/Match using peak data and full PDF-2
database.
-
Selectors by: elements, subfiles, max missed
peaks, min matched peaks, 6 preselected entries in the database.
-
Parameters: d relative error, 2 error,
max 2 offset, miss level, 5 figure of merit weights.
|
Databases |
External:
-
ICDD PDF-2;
-
ICSD RETRIEVE.
|
Indexing |
External:
|
Lattice Refinement |
External:
|
Unit Cell Parameters |
Commands:
-
Edit, Lattice type, Systematic extinctions,
-
Reflection generation (all systems, up
to 2500 reflections).
|
Structure Data Editor |
Edit and prepare parameters and codewords
of a FULLPROF (for version 3.5) *.PCR file. |
Crystallite Size/Strain |
Two methods:
-
Voight analysis + Williamson-Hall plot;
cylindrical and spherical shape models;
-
Fourier analysis + Warren-Averbach approximation.
|
Structure Refinement |
External:
|
Structure Visualization |
External:
-
SCHAKAL;
-
ATOM87;
-
MOLDRAW;
-
ORTEP;
-
ORTEX;
-
PowderCell.
|
List of External Programs Linked with
AXES |
-
User_NET-shell;
-
User_Measurement;
-
User_TextEditor;
-
GRAPHER, PLOT;
-
WordPerfect, DrawPerfect;
-
WP-Presentation;
-
PEAK;
-
ITO; TREOR; DICVOL;
-
LSUCRE; LATCO; XLAT;
-
PowderCell;
-
PROFIT;
-
LAZY-PULVERIX;
-
PC-PDF;RETRIEVE;
-
GSAS; FULLPROF; WYRIET;
-
PrecPlot;
-
NewMod;
-
DIFFaX
-
PERTABLE;
-
MOLDCONV.
|
Online Help |
Context sensitive Help for most of
commands, buttons and parameters. |
Other Commands |
-
DOS shell;
-
Print/Save/Retrieve Parameters;
-
Save/Retrieve State;
-
Edit Sample/Diffr./Measurement parameters;
-
Change directory;
-
Calculator;
-
Hardware par.: printer/mouse/ screen/graphics;
-
Reset all.
|
|
AXES 2.8W (for
Windows 9x, NT, 2000):
Tools and commands
|
Characteristics
|
Pattern data Import/Export
Imp denotes that import is available.
Exp denotes that export is available.
32 different filters |
-
AXES Binary (Imp/Exp)
-
Siemens Diffrac-AT 1 & 3 RAW
(Imp/Exp)
-
Bruker DiffracPlus 1.01 RAW (Imp)
-
Siemens UXD (Imp/Exp)
-
PEAK 91 (Exp)
-
DBWS+WYRIET 2/3 (Imp/Exp)
-
RIETAN (Imp/Exp)
-
XRS 82 (Imp/Exp)
-
Allmann DIFFRAC (Imp/Exp)
-
ICDD *.REF (Imp/Exp)
-
ICDD *.PD3 (Imp/Exp)
-
SCANPI (Imp)
-
Y only (e.g. FULLPROF *.BAC) (Imp/Exp)
-
X-Y pairs (e.g. WYRIET *.CAL) (Imp/Exp)
-
DiffracINEL (Imp)
-
HUBER G600 v5.13 (Imp)
-
HUBER G670 v2.44b & 3.1 (Imp/Exp)
-
Synchrotron SRS (Imp)
-
PROFIT (Imp/Exp)
-
FULLPROF *.DAT (Imp/Exp)
-
FULLPROF *.PRF (Imp/Exp)
-
Guinier Tübingen 1 (Imp)
-
Guinier Tübingen 2 (Imp)
-
GSAS standard type (Imp/Exp)
-
DIFFaX data (Imp)
-
Philips *.RD (Imp)
-
Philips *.UDF (Imp)
-
Seifert ASCII data (Imp)
-
EXTRA ASCII data (Imp/Exp)
-
STOE Binary data v1.04 (Imp/Exp)
|
Peak Data Import/Export
17 different filters |
-
AXES Binary (Imp/Exp)
-
AXES ASCII (Imp/Exp)
-
DIFFRAC AT 1.0 (Imp/Exp)
-
DIFFRAC AT 3.0 (Imp/Exp)
-
PEAK 91 (Imp)
-
ITO (Exp)
-
TREOR (Imp/Exp)
-
DICVOL (Exp)
-
LSUCRE (Imp/Exp)
-
Grapher (Exp)
-
ICDD *.RED (Exp)
-
Allmann LATCO (Imp/Exp)
-
Lazy-Pulverix (Imp)
-
XLAT (Exp)
-
PowderCell *.d_i (Imp/Exp)
-
PowderCell *.2i (Imp/Exp)
-
FULLPROF *.PRF (Imp)
|
Maximum number of points
per pattern 200000 |
Maximum number of peaks
per pattern 2000 |
Structure data Import/Export
9 different filters |
-
ICSD *.txt (Imp/Exp)
-
LazyPulverix *.inp (Exp)
-
PrecPlot *.inp (Exp)
-
Schakal *.inp (Exp)
-
Schakal XYZ dat (Imp/Exp)
-
MOLDRAW *.mol (Imp/Exp)
-
PowderCell *.inp (Imp/Exp)
-
GSAS *.exp (Imp)
-
FULLPROF *.pcr (Imp/Exp)
|
Pattern Graphics |
Work Graph: a set of commands
for a graphical work with a pattern (Zoom In/Out, Insert/Delete points
, Distance, Full Size, Change peak label style).
Presentation Graph: Implements TeeChart
tools and Graph editor options. |
Print and Export Graphics |
Internal, prints on any Windows printer
and exports graph in the following formats:
-
Compuserve Bitmap (GIF)
-
Enhanced Windows Metafile (EMF)
-
Joint Photographic Experts Group (JPEG)
-
PC Paintbrush bitmap (PCX)
-
Portable Network Graphics (PNG)
-
Virtual Modelling Language (VML)
-
Windows Bitmap (BMP)
-
Windows Metafile (WMF)
-
Adobe Postscript (PDF)
-
Encapsualted Postscript (EPS)
-
Hewlett Pacard Graphics Language (HPGL)
-
TeeChart native (TEE)
-
TeeChart ASCII text
|
Pattern Preprocessing |
-
Smoothing
-
Strip background and Kalpha2
-
Detect peaks
-
Print preprocessing report
|
Manual Background Detection |
Interpolation by a cubic spline.
Commands: Mark, Subtract, Import, Export. |
Compare Patterns |
Up to 20 Peak or Pattern arrays:
-
Import, Scale, Shift, Sum, Difference
-
Export Sum & Difference
-
Exchange the Peak and Pattern data with
current main data array
-
Graph FingerPrint HPGL output
-
Graph PatternPrint HPGL output
|
Peak Fitting |
Iindividual peak fitting, up to 178
free parameters.
Whole pattern fitting, up to 150 peaks.
Eight peak shape functions:
-
Gaussian
-
Lorentzian
-
Intermediate Lorentzian
-
modified Lorentzian
-
Pearson VII type with split- and common
exponents
-
pseudo-Voigtian
-
asymmetric pseudo-Voigtian (FCJ pseudo-Voigt)
Three background models:
-
polynomial (up to 3 order)
-
Toraya
-
modified Toraya
|
Pattern Simulation |
The same options as for peak fitting. |
Pattern Editor |
-
Edit counts
-
Change start angle, final angle, step size
-
Change scale
-
Merge patterns by import
|
Peak Editor |
Edit/Delete/Insert/Norm/Filter parameters
of up to 2000 peaks.
Shows online graph, traces Kalpha2
and Kbeta locations. |
2theta Calibration |
External by AXES 2.0A. |
Absorption Correction |
Guiner and Debye-Scherrer geometries. |
Intensity Calibration |
External by AXES 2.0A. |
Phase Search/Match |
Search/Match using peak data and full
PDF-2 database:
-
Selectors by: chemical elements, subfiles,
max missed peaks, min matched peaks, 6 preselected entries in the database.
-
Parameters: d relative error, 2 error,
max 2 offset, miss level, 5 figure of merit weights.
-
Online graph in three selctions for
observed pattern, selected and accepted peak data.
-
Automatic labeling of observed peaks with
data from peaks of selected candidate.
-
Print search report .
|
Databases |
Internal:
-
Paradox database for saving and retrieving
of Experiment data (specimen, device, pattern, peaks, phases).
-
Ordering records by different fields.
-
Filtering records by different
fields.
-
Up to 50000 experiments in one database.
External:
|
Peak indexing |
External:
|
Lattice Refinement |
Internal:
cell parameters manual fitting by visual
comparing of calculated and observed peak locations.
External:
|
Editor of lattice type and unit cell
parameters |
-
Edit parameters, cell volume , lattice
type, systematic extinctions, space group symbol and number, cell
origin choise, unique axis choise.
|
Structure Data Editors |
-
Up to 2000 atoms in one unit cell.
-
Up to 2 000 000 atoms in a crystallite.
-
Table editors for atoms in asymmetric
unit , unit cell, crystallite.
-
Unit cell and crystallite generation from
atoms in an asymmetric unit.
-
Table editor for atomic scattering factors.
-
Table editor for matrices of symmetry operations.
-
Table editor for generators of space groups.
-
Table editor for atomic radiuses.
|
Crystal shaping |
Generation of crystallites with shape of:
-
sphere,
-
cylinder,
-
parallelepiped,
-
tetrahedron,
-
octahedron,
-
icosahedron,
-
cuboctahedron.
|
Crystallite Size/Strain calculation |
External by AXES 2.0A.
|
Structure Refinement |
External:
|
Structure Visualization |
External:
|
List of External Programs Linked with
AXES |
-
User_Measurement
-
User_TextEditor
-
ITO; TREOR, DICVOL
-
LSUCRE; LATCO
-
PowderCell
-
LAZY-PULVERIX
-
PC-PDF;RETRIEVE
-
GSAS; FULLPROF
|
Online Help |
Context sensitive Help for most of
commands, buttons and parameters. |
Other Commands |
-
Print/Save/Retrieve Parameters
-
Save/Retrieve State
-
Edit Experiment parameters (Sample/Specimen
, Diffractometer, Measurement)
-
Reset all
|
|