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Methods, Problems and Solutions

GSAS (General Structure Analysis System) Rietveld powder diffraction and Single Crystal software

GSAS - Converting DOS/UNIX Data into VMS Format

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[The reference to use for GSAS in any resulting publications is: A.C. Larson and R.B. Von Dreele, "General Structure Analysis System (GSAS)", Los Alamos National Laboratory Report LAUR 86-748 (1994).]

How do you get DOS/UNIX GSAS raw data into VMS format?

Via Rietveld Mailing List
25th-26th March 1998

  1. DOS/UNIX/VMS GSAS DATA/EXP formats - Update from Brian Toby, Rietveld List, 09 Nov 1998
  2. Brian Toby - E-mail: [email protected]
    
         To convert DOS and UNIX GSAS files for use in VMS, I use the VMS
            $ convert/pad/fdl=80fix.fdl    
    command. Where 80fix.fdl is:
    
    IDENT   "16-NOV-1992 10:10:01   VAX-11 FDL Editor"
    
    SYSTEM
            SOURCE                  "VAX/VMS"
    
    FILE
            ALLOCATION              0
            BEST_TRY_CONTIGUOUS     yes
            EXTENSION               0          
            ORGANIZATION            sequential
    
    RECORD
            BLOCK_SPAN              yes
            CARRIAGE_CONTROL        carriage_return
            FORMAT                  fixed
            SIZE                    80
    
    A few notes: the DOS files have a CR (or LF or both?) already inside, so if
    xfered to VMS in ASCII mode, convert should recognize the record boundaries.
    This is not true in the UNIX versions, where convdtos must be used 1st to add
    the CR characters before the files are transferred.
    
    BHT
    
    --
    ********************************************************************
    Brian H. Toby, Ph.D.                    Leader, Crystallography Team
    [email protected]        NIST Center for Neutron Research E151/235
    voice: 301-975-4297     National Institute of Standards & Technology
    FAX: 301-921-9847                             Gaithersburg, MD 20899
    ********************************************************************
    
  3. Gilberto Artioli - E-mail: [email protected]
    just copy them as ASCII files and convert them in ISAM format.
    Below is a small code I wrote ages ago for this....
    
    Click here for File - artioli.for
    
    good luck
    
    Gilberto
    
            ------------------------------------------------------
    
            Gilberto Artioli
            Dipartimento di Scienze della Terra
            Universita' degli Studi di Milano
            Via Botticelli 23
            I-20133 Milano, Italy
    
            tel: 39-2-23698320
            fax: 39-2-70638681
            e-mail: [email protected]
            url:  http://iummix.terra.unimi.it/~artioli/start.html
    
  4. Larry W. Finger - E-mail: [email protected]
    
    A VMS version of the utility 'cnvfile' found with the DOS is available. It
    takes a properly formatted ASCII file and writes the 80 character record
    ISAM file needed by VMS versions of GSAS. 
    
    URL's for the VAX version of source and executable are at
    
    ftp://cryst.ciw.edu/gsas_vax/cnvfile.for [local]
    and 
    ftp://cryst.ciw.edu/gsas_vax/cnvfile.exe  [local]
    
    For VMS/AXP (alpha) users, the URLs are 
    
    ftp://cryst.ciw.edu/gsas_alpha/cnvfile.for  [local]
    ftp://cryst.ciw.edu/gsas_alpha/cnvfile.exe   [local]
    


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