xprepfin

NAME

     xprepfin - prepare fin files.

DEFINITION

     Import/export fin files from/to other formats and to  refor-
     mat  fin  files.  This is the main entry point for data into
     XtalView.  It is really set up for XENGEN mulist files  (the
     output of makemu -f).

USAGE

     xprepfin in out

DESCRIPTION

     Quit Exit prepfin.


     Directory
          The directory.


     Input File
          The input file can be either a fin or XENGEN mulist.


     Input Format
          Set this to the correct type.


     Other Formats
          Select a non-XtalView format  from  which  to  read  in
          data:  Raxis  (hkl fobs sigma  Bijovet_difference), XDS
          format with F's, XDS format with I's.  For instructions
          on    adding     another    format    see    the   file
          $XTALVIEWHOME/data/OtherFormats.


     Use Data
          There six options as to how to switch the input to make
          the output.


          As is
               No change to input.


          Avg f1 and f2
               If f1 and f2 exists, then they are  averaged.   If
               one  is  missing,  then  the  output is set to the
               other one.

          F1 then F2
               If F1 exists, then use it first otherwise take F2.


          F2 then F1
               If F2 exists, then use it first otherwise take F1.


          F1   Always use F1 if it exists.


          F2   Always use F2 if it exists.


     Switch F1 and F2
          Select SWITCH to do this.  This operation is done after
          Use Data:.


     Data are
          This controls how some operations behave.   If the data
          are  Bijvoet  pairs, then when the indices are switched
          it may be necessary to reverse the Bijvoet pair.  Also,
          when  a centric reflection is output, Bijvoet pairs are
          averaged, placed in the first  field,  and  the  second
          field  set  to  zero  since  centrics  do  not  have an
          anomalous scattering signal.   Obviously,  this  should
          not be done to isomorphous pair data.


     Reduce Indices
          The data indices are reduced to produce a unique value,
          the  reflections  are sorted on h, k, l, and any dupli-
          cates are merged.  Unfortunately,  the  algorithm  used
          does  not  always  put  the  data  in  the quadrant you
          desire.


     Output Format
          Select the desired format from the 3 choices.


     Output File
          The name of the output file goes in here.


     Apply
          When you are ready, click here.

VERSION

     Release 3.2 of XtalView

SEE ALSO

     xtalview(1)