* Data Reduction and Plotting Programs

To plot the data you must use the graphical terminal PERICOM on the cabin which is linked to the terminal server MICOM. Login to the MicroVax by typing after the prompt local> c D1B <CR> and enter Username and password. The following programs are available for data reduction TEKD1B, FILD1B P3DNEW, PLOTPOW, ABFFIT, XRFIT, FULLPROF.

TEKD1B is an interactive program used to retrieve the data from MicroVax data base. You can add or subtract several spectra and plot the result on the screen or create a file for the laser printer. You can also recalibrate the data with a different efficiency's coefficients file.

Input    => Numors and name of output file --> myfile
Output   => ASCII formatted file           --> myfile.d1b
          => File for printer               --> myfile.lp
          => File for LASER printer         --> Lxxx.LAS

The file myfile.d1b is compatible with other data analysis programs:
ABFFIT, PLOTPOW, P3DNEW, FULLPROF running either on the MicroVax or on the
Silicon Graphic workstations.

FILD1B is an interactive program which retrieves the data from MicroVax data base and prepares either a unique file containing different spectra for 3D-plots with P3DNEW program or separate files (successive files) for sequential refinement with ABFFIT, FULLPROF, XRFIT programs.

Input  =>Numors and name of output file  --> myfile
Output =>ASCII formatted file            --> myfile.f1b for unique file option
          Log file(angles,temperatures...)--> myfile.log

D1B::[username] P3DNEW <CR>

P3DNEW makes 3D-plots or contour plots from powder diffraction data. The result is a surface representation of a function f(2theta,variable) where variable is numor, temperature, time,cradle angles, voltmeter values etc.... The program uses some routines from NAG graphical library.

Input  => myfile.f1b prepared by FILD1B
Output => plots on the screen
        => File for LASER printer     --> Lxxx.LAS

D1B::[username] PLOTPOW <CR>

PLOTPOW is a general purpose plotting program. Plots data file prepared by tekd1b and results of profile refinements programs PLOTPOW and DBW.

Input  => myfile.d1b prepared by TEKD1B
       => myfile.prf from FULLPROF
Output => plots on the screen
        => File for LASER printer     --> Lxxx.LAS

ABFFIT fits the powder diffraction pattern with a mathematical function (peak+background) without assuming any physical model for the diffraction process. The program can run in automatic mode for sequential refinements. The results of such cyclic refinements can be visualized by the program DISABF.

Input  => myfile.d1b prepared by TEKD1B
        => FILnnn.dat prepared by FILD1B for sequential refinements
       => myfile.dom list of angular ranges in degrees 2theta (free format)
Output => ABFFIT.LPT  Contains all results of refinements
		 => myfile.ABF Condensed output file and starting control file 
           for sequential refinements
        => FILABF.RES The results of sequential refinements
           FIL is the code name (3 letters given by user) for sequential data
           prepared by FILD1B.

D1B::[username] XRFIT<CR>

XRFin: is a command script to run XRFIT before cyclic refinement and XRFIT is a program to fit powder diffraction profile, it uses PSEUDO-VOIGT functions with global parameter gamma and eta.
XRCyc: is a command script to run XRFIT for cyclic refinement

Input  => myfile.dat prepared by TEKD1B for XRFin 
        => myfile.pik is controle file single run
        => FILnnn.dat prepared by FILD1B for sequential refinements
Output => myfile.pik with refined parameters for single run
        => FILlis.res for sequential refinements

FULLPROF is general program for Rietveld analysis (structure profile refinement) of neutron (nuclear and magnetic scattering) or X-ray powder and single crystal diffraction data. The program can be also used as a Profile Matching tool, without the knowlegde of the structure. (for more information contact juan@bali.saclay.cea.fr)

Input   => CODFIL.PCR: Input control file. It must be in the current directory to run the program.
            This file contains the title and crystallographic data and must be prepared by user with a file editor.
         => FILE.DAT:Intensity data file
         => FILE.BAC: Background file
         => CODFILn.HKL: Set of files with the reflections corresponding to phase "n"
Output  => CODFIL.OUT: This is the main output file which contains all control variables and structure parameters.
         => CODFIL.PRF: Observed and calculated profile
         => CODFIL.RPA: Summary of refined parameters
         => CODFIL.SYM: List of symmetry operators
         => CODFIL.FOU: List of Structure Factors
         => CODFIL.SAV: List of reflections between two selected angles