                               AXES 1.9A

       List of all commands and their availability in version B.


                                 Name
                            Characteristics                   Version B


Pattern Data Import/Export 

Imp denotes that import is
available.

Exp denotes that export is
available.
1. AXES Binary (Imp/Exp);                                             *
2. Diffrac-AT 1 & 3 (Imp/Exp);
3. PEAK 91 (Exp);
4. DBWS+WYRIET 2/3 (Imp/Exp);
5. RIETAN (Imp/Exp);
6. XRS 82 (Imp/Exp);                                                  *
7. Allmann DIFFRAC (Imp/Exp);
8. ICDD *.REF (Imp/Exp);                                              *
9. ICDD *.PD3 (Imp/Exp);                                              *
10. SCANPI (Imp);
11. Y only (e.g. FULLPROF *.BAC) (Imp/Exp);                           *
12. X-Y pairs (e.g. WYRIET *.CAL) (Imp/Exp);                          *
13. DiffracINEL (Imp);
14. HUBER G600 v5.13 (Imp);
15. Synchrotron SRS (Imp);
16. PROFIT (Exp);
17. FULLPROF *.DAT (Imp/Exp);                                         *
18. FULLPROF *.PRF (Imp/Exp);                                         *
19. Guinier Tbingen 1 (Imp);
20. Guinier Tbingen 2 (Imp);
     21.  GSAS standard type (Imp/Exp);
22. DIFFaX data (Imp);
     23.  Philips data *.RD (Imp/Exp);
24. Seifert ASCII data (Imp);
25. EXTRA ASCII data (Imp/Exp);
26. STOE Binary data (Imp);


Peak Data Import/Export
 
1. AXES Binary (Imp/Exp);                                             *
2. AXES ASCII (Imp/Exp);                                              *
3. DIFFRAC 1&3 (Imp/Exp);
4. PEAK 91 (Imp);
5. ITO (Exp);
6. TREOR (Imp/Exp);                                                   *
7. DICVOL (Exp);
8. LSUCRE (Imp/Exp);                                                  *
9. Grapher (Exp);
10. ICDD *.RED (Exp);
11. Allmann LATCO (Imp/Exp);
12. Lazy-Pulverix (Imp);
13. XLAT (Exp);
14. PowderCell *.d_i (Imp);                                           *
15. PowderCell *.2i (Imp);                                           *


Max Number of Points per Pattern: 15500 (200 000 for Version L)    8000



Max Number of Peaks per Pattern <= 300                              300



Structure Data Import/Export

1. ICSD *.txt (Imp/Exp); 
2. FULLPROF *.pcr (Imp/Exp);                                          *
3. LazyPulverix *.inp (Exp);
4. PrecPlot *.inp (Exp);
5. Schakal *.inp (Exp);
6. MOLDRAW *.mol (Imp/Exp);
7. PowderCell *.inp (Imp/Exp);                                        *
8. 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:
1. Grapher;                                                           *
2. WordPerfect Presentation


Pattern Preprocessing
1. Smoothing;                                                         *
2. Strip background and K2;                                          *
3. Detect peaks;                                                      *
4. Print preprocessing parameters;                                    *
5. Accept peaks;                                                      *
6. Accept all                                                         *



Manual Background
Detection
Interpolation by a cubic spline;                                      *
Commands: Mark, Subtract, Import, Export                              *


Compare Patterns
Up to 16 Peak or Pattern arrays:                                      4
Import, Scale, Shift, Sum, Difference,                                *
Export Sum & Difference;                                              *
Exchange the Peak and Pattern data;                                   *
FingerPrint HPGL output;
PatternPrint HPGL output;


Peak Fitting
up to 178 free parameters;
Eight peak shape functions:                                           *
Gaussian;
Asymmetric basic-
intermediate- and
modified Lorentzian;
Pearson VII type with split- and common exponents;
pseudo-Voigtian;
asymmetric pseudo-Voigtian;
Three background models:                                              *
polynomial (up to 3 order);
Toraya;
modified Toraya;
individual peak fitting;                                              *

whole pattern fitting, 150 peaks;


Pattern Simulation
Internal: all peak/pattern models from peak fitting dialog;
External: 
1. LAZY-PULVERIX
2. PowderCell                                                         *


Pattern Manipulation
Edit, Scale, Compress, Scissors, Merge


Peak Editor
Edit/Delete/Insert parameters of up to 300 peaks                      *


2  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 of 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:
1. ICDD PDF-2;
2. ICSD RETRIEVE;


Indexing
External:
1. ITO;
2. TREOR;                                                             *
3. DICVOL;


Lattice Refinement
External:
1. LSUCRE;                                                            *
2. LATCO;
3. 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
(ver 3.3, Aug97) *.PCR file                                           *


Crystallite Size/Strain
1. Voight analysis + Williamson-Hall plot;                            *
2. Cylindrical and spherical shape models                             *
3. Fourier analysis + Warren-Averbach approximation;


Structure Refinement
External:
1. WYRIET;
2. FULLPROF;                                                          *
3. GSAS;                                                              *


Structure Visualization
External:
1. SCHAKAL;
2. ATOM87;
3. MOLDRAW;
4. ORTEP;
5. ORTEX;
6. PowderCell                                                         *


List of External Programs
Linked with AXES
1. User_NET-shell;
2. User_Measurement;
3. User_TextEditor;                                                   *
4. GRAPHER, PLOT;
5. WordPerfect, DrawPerfect;                                          *
6. WP-Presentation;                                                   *
7. PEAK;
8. ITO;
9. TREOR;                                                             *
10. DICVOL;
11. LSUCRE;                                                           *
12. LATCO;
13. XLAT;
14. PowderCell;                                                       *
15. PROFIT;
16. LAZY-PULVERIX;
17. PC-PDF;
18. RETRIEVE;
19. GSAS;
20. FULLPROF;                                                         *
21. WYRIET;
22. PrecPlot;
23. NewMod;
24. DIFFaX


Other programs called by
axes
1. PERTABLE;                                                          *
2. MOLDCONV;


Online Help
Context sensitive Help for most of commands, buttons and
parameters                                                            *


Other Commands
1. DOS shell;                                                         *
2. Print/Save/Retrieve Parameters;
3. Save/Retrieve State;                                               *
4. Edit Sample/Diffr./Measurement parameters;                         *
5. Change directory;                                                  *
6. Calculator;                                                        *
7. Hardware par.: printer/mouse/ screen/graphics;                     *
8. Reset all                                                          *

