AXES
 

Data processing tools and commands


List of commands for the following versions:
 
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:
  • Grapher. 
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:
    • PowderCell.
    Peak Editor Edit/Delete/Insert parameters of up to 300 peaks. 
    Indexing
  • External:
    • TREOR.
    Lattice Refinement External:
    • LSUCRE.
    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:
    • FULLPROF,
    • GSAS. 
    Structure Visualization External:
    • PowderCell. 
    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:
    • ITO;
    • TREOR;
    • DICVOL.
    Lattice Refinement External:
    • LSUCRE;
    • LATCO;
    • XLAT.
    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:
    • WYRIET;
    • FULLPROF;
    • GSAS. 
    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:
    • ICDD PDF-2
    • ICSD RETRIEVE
    Peak indexing  External:
    • ITO
    • TREOR
    • DICVOL
    Lattice Refinement
  • Internal:
      • cell parameters manual fitting by visual  comparing of calculated and observed peak locations.
    External:
    • LSUCRE
    • LATCO
    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:
    • FULLPROF
    Structure Visualization External:
    • SCHAKAL
    • ORTEP
    • PowderCell
    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 


    Any other information from: hugo.mandar@ut.ee
    Department of Physics, University of Tartu, 4 Tähe Str., 51010 Tartu, Estonia

    Last Revised: 16/10/2003
    Copyright © 2003 Hugo Mändar, University of Tartu. All rights reserved.