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A standard main program such as
ARRNGE (which groups together the
results of single crystal diffraction measurements) will have been
precompiled and linked using CCSL as a search Library. An executable file
such as ARRNGE.EXE should therefore exist.
The user wishing to run this as it stands, as a black box , first puts
his Crystal Data into some file, named, for example, TESTAR.CRY.
He would also have files containing data to arrange, called,
say, REFLN1.C5, REFLN2.C5
and REFLN3.C5, and a list of the numbers of reflections to
reject in, say, REFLN2.REJ.
The following sequence would run the program from an on-line terminal.
The dialogue in italics is to be typed by the user.
- for VMS:
- $ RUN ARRNGE
- for UNIX:
- 2% arrnge
- Give name of Crystal data file TESTAR
- Give name of file containing rejection list REFLN2
- Give name of reflection file REFLN1.C5
- Give name of next reflection file (or c/r to end) REFLN2.C5
- Give name of next reflection file (or c/r to end) REFLN3.C5
- Give name of next reflection file (or c/r to end)
- Sort started . . . Sorted 1485 records
- Give name for output file of sorted reflections ARROUT
- with VMS:
- FORTRAN STOP
- with UNIX:
- 3%
In general, the user supplies file names on request. The file extension
for Crystal Data files defaults to .CRY or .CCL . General data
files have default extension .DAT although some default extensions are
associated with particular data types. (For example, for ARRNGE, .FLI is
the default for DTYP=1, meaning
polarised neutron flipping ratios). The extension .C5 is not one of
these, hence the .C5 file
extensions above were typed explicitly. Exactly which defaults have been
used is under the control of the writer of the main program, but
routine
NOPFIL should in general allow the user to try again if he types
a file name it cannot handle.
Next: The Listing File
Up: USING THE SYSTEM
Previous: USING THE SYSTEM
P.J. Brown - Institut Laue Langevin, Grenoble, FRANCE. e-mail brown@ill.fr