Symmet - Chalk River Pole Figure Software for DOS (does run as a DOS program under Windows 95/98) Downloadable from the CCP14 Project website at: http://www.ccp14.ac.uk/ccp/web-mirrors/chalk_river_pole_figure/ Notes from program author: John Root Neutron Program for Materials Research National Research Council of Canada Chalk River Laboratories, Building 459, Stn. 18 Chalk River, Ontario, Canada K0J 1J0 http://neutron.nrc.ca/ CCP14 NOTE: "This software is intended for the routine analysis of crystallographic texture by neutron diffraction at Chalk River Laboratories. The author does not claim the software to be free of bugs. Use it at your own risk. By posting this software (and due to severe time limitations, the author is in no way implying a willingness to maintain the software, nor to modify it in response to the particular requirement of any other user." CCP14 Note: It is recommended that users of the software subscribe to the Usenet/internet newsgroup, sci.techniques.xtallography If you have queries, problems with the software, it is first recommended that you post your query to sci.techniques.xtallography where other users may be able to assist you. CCP14 Note: For HPGL output, the shareware Printgl for DOS and Windows and be used to output the HPGL files to almost any type of printer. Ravitz Software: PrintGL, PrintCAD, PrintGF, and Ravitz Editor http://www.concentric.net/~Ravitz/ ================= ================= As-is executables are included. These programs are nicely suited for neutron diffraction data where complete pole figures are obtained on a regular grid of intensity measurements. Symmet will take data on a NON-regular grid (provided that it spans a complete hemisphere) and render it onto a standard grid for subsequent processing. If you have swatches of Xray pole figures that can be expressed in terms of tilt and azimuth spanning a complete hemisphere, Symmet can also render this data onto the standard grid for subsequent processing. ================= ================= For materials with cubic crystallographic symmetry, the sequence is: 1. Symmet (to put pole figures onto a regular grid and permit corrections to the coordinate system, accounting for specimen mounting bugs). 2. Copy dummy output file SYMMET.OUT to meaningful Pole figure filename. 3. Copy pole figure of interest into dummy file POLCON.IN. Plot pole figure to screen, to HP laserjet or to HP 7550 pen plotter POLCON 4. Edit the control file CONTROL.CUB to oversee the Cryst. Orientation Dist. calculation 5. CUBODFY to calculate CODF expansion coefficients and reconstruct the CODF (either Roe or Bunge notation) 6. Copy dummy output file ODFOUT to meaningful filename. 7. ODFCONY to plot the CODF versus Euler angles (either Roe of Bunge notation) ================================================================= ================================================================= For materials with hcp cryst. symmetry, the sequence is: 1. Symmet (to put pole figures onto a regular grid and permit corrections to the coordinate system, accounting for specimen mounting bugs). 2. Copy dummy output file SYMMET.OUT to meaningful Pole figure filename. 3. Copy pole figure of interest into dummy file POLCON.IN. Plot pole figure to screen, to HP laserjet or to HP 7550 pen plotter POLCON 4. Edit the control file CONTROL.HEX to oversee the Cryst. Orientation Dist. calculation 5. HEXODF to calculate CODF expansion coefficients and reconstruct the CODF (Roe notation only) 6. Copy dummy output file ODFOUT to meaningful filename. 7. ODFHEX to plot the CODF versus Euler angles (Roe notation only) [cubodfy.exe] [cubpf.exe] [hexodf.exe] [hexpf.exe] [odfcony.exe] [odfhex.exe] [polcon.exe] [symmet.exe] The crystallite orientation distribution function calculations (cubodfy and hexodf) are controlled by control files. So are pole figure reconstruction programs cubpf and hexpf: [control.cpf] [control.hpf] [control.cub] [control.hex] Input data is a set of pole figure files, 3 columns of data (chi, eta, intensity) where chi is tilt angle from the polar axis, eta is azimuthal angle about the polar axis, intensity has been corrected for background and experimental abberrations. This process is instrument and technique dependent. No point in including the particular correction program for our data collection system. Examples of pole figure files are cube.111 (for the 111 reflection pole figure), cube.200 (for the 200 reflection pole figure), and cube.220 ( guess what for..) Example of an output CODF is cube.odf Example of CODF expansion coefficients is cube.wlm (calculated in Roe notation) [cube.111] [cube.200] [cube.220] [CUBE.ODF] [CUBE.WLM] [wlmn] Normally, the expansion coefficients are filed by the CUBODFY program in a dummy file called WLMN. You can do some additional calculations, once you know the WLMN values for a specimen. For example, you can reconstruct missing pole figures with CUBPF (for cubic crystallographic symmetry), controlled by file control.cpf The output files are given default names PF1.rec, PF2.rec, etc. You have to know which hkls correspond to each dummy output file, as you put hkl in the control file CONTROL.CPF. HEXPF (for hcp cryst. symmetry), controlled by file control.hpf. ================================================================= ================================================================= CCP14 NOTE: "This software is intended for the routine analysis of crystallographic texture by neutron diffraction at Chalk River Laboratories. The author does not claim the software to be free of bugs. Use it at your own risk. By posting this software (and due to severe time limitations, the author is in no way implying a willingness to maintain the software, nor to modify it in response to the particular requirement of any other user." CCP14 Note: It is recommended that users of the software subscribe to the Usenet/internet newsgroup, sci.techniques.xtallography If you have queries, problems with the software, it is first recommended that you post your query to sci.techniques.xtallography where other users may be able to assist you. CCP14 Note: For HPGL output, the shareware Printgl for DOS and Windows and be used to output the HPGL files to almost any type of printer. Ravitz Software: PrintGL, PrintCAD, PrintGF, and Ravitz Editor http://www.concentric.net/~Ravitz/