Filenames

1.2 - File naming conventions in WinGX

All files used and written by WinGX are of type ASCII unless otherwise stated and may thus be viewed and edited by standard text-editors. Some files have a fixed format (e.g. all files with .HKL extention), so some care may be required when editing these. WinGX can read ASCII files in DOS or UNIX format but will write files in DOS format only.

While in principal WinGX v1.64 supports long file names, there is a current restriction to about 110 characters for the fullpath name. The folder (directory) name may contain embedded spaces, but the local filename should not. Most, but not all, files written by WinGX programs adhere to the 8.3 DOS standard.

System files name.XXX. A large number of these files are written by WinGX system programs.
 NAME        DESCRIPTION
name.bak --  backup version of name.INS
name.bin --  binary data files written by SIR92 or PLATON (incompatible!)
name.cif --  refinement details in CIF format from SHELXL
name.dat --  raw CAD4 diffractometer file
name.eld --  PLATON/PLUTON style input file with coordinate errors
name.fcf --  CIF listing of Fo vs Fc (or Fo2 vs Fc2) from SHELXL
name.hkl --  principal SHELX reflection file
name.lpr --  PostScript list file from PLATON
name.ins --  principal model file - input for SHELX  programs
name.omx --  orientation matrix from XCAD4
name.out --  edited SHELX model file written by CAMERON
name.p4p --  Siemens data collection summary file
name.p4t --  raw Siemens diffractometer file
name.par --  space group assignment from PLATON
name.plt --  plotfile from SIR92
name.psi --  raw psi-scan data from CAD4 diffractometer
name.prs --  input file for PARST
name.ras --  pseudo PDB file for input to RasMol
name.res --  results file for structure solution and SHELXL refinement
name.sir --  input file for SIR92, SIR97
name.spf --  PLATON/PLUTON style input file with coordinate errors
name.st  --  reflection file of standards from XCAD4 for STDANAL
name.sup --  supplementary material tables from GEOM, PLATON
name.tb  --  tables from GEOM
name.tex --  Crystal data summary and publication tables from CIF_TABLES
name.thm --  input file for THMA11
name.unc --  uncorrected reflection file from XCAD4 for STDANAL
name.xpr --  CAD4 Express data collection summary file
name.xr  --  CSSR coordinate file
It is possible to keep a number of reflection files (with different absorption corrections or other forms of processing) in the same directory. The current reflection file is set using the menu item "Set HKL File" under the Refine menu. All reflection files with .HKL extension are SHELX formatted reflection files.
name.HKL        --  default (usually uncorrected) reflection file
ORIGINAL.HKL    --  copy of raw reflection file from XCAD4 or PROFIT
DIFABS.HKL      --  abs. corrected reflection file from DIFABS-PLATON
DIFABS_CAD4.HKL --  abs. corrected reflection file from DIFABS (CAD4 specific)
GAUSSIAN.HKL    --  abs. corrected reflection file from GAUSSIAN
ANALYTICAL.HKL  --  abs. corrected reflection file from ANALYTICAL
PSI_SCAN.HKL    --  abs. corrected reflection file from PSI-SCANS
SPHERICAL.HKL   --  abs. corrected reflection file from SPHERICAL
CYLINDRICAL.HKL --  abs. corrected reflection file from CYLINDRICAL
XABS2.HKL       --  abs. corrected reflection file from XABS2
SHELXA.HKL      --  abs. corrected reflection file from SHELXA
CAMEL.HKL       --  abs. corrected reflection file from CAMEL JOCKEY
MULTISCAN.HKL   --  abs. corrected reflection file from MULTISCAN
NEEDLE.HKL      --  abs. corrected reflection file from NEEDLE
SQUEEZED.HKL    --  output reflection file from SQUEEZE (PLATON)
DENZOX.HKL      --  output from DENZOX processing of KappaCCD data
NANNY.HKL       --  output from EvalCCD processing of KappaCCD data
IMPORT.HKL      --  output from Import KappaCCD
SORTAV.HKL      --  reflection data processed and merged with SORTAV
System CIF files.
absorb.cif   -- results from PLATON-based absorption corrections
archive.cif  -- archive CIF of structural analysis from option ARCHIVE CIF
cifdep.cif   -- CIF for direct CCDC deposition from option CCDC CIF
cifdoc.cif   -- CIF for Acta Cryst. C. from option ACTA-C CIF
difabs.cif   -- results from DIFABS absorption correction (CAD4 version)
difrac.cif   -- diffractometer data in CIF format from DIFRAC
dreduc.cif   -- data reduction summary from XCAD4, PROFIT or IMPORT_KAPPACCD
psi_scan.cif -- results from psi-scan absorption correction
sortav.cif   -- data processing with SORTAV
stdanal.cif  -- decomposition correction summary file from STDANAL
struct.cif   -- basic crystal information written by INITIALISE FILES
xabs2.cif    -- results from XABS2 absorption correction
Other system files. 
MapFile     --  binary direct-access file written by FOURIER_MAP
sft.lst     --  listing of Fc2/Fo2 in condensed format for deposition
                or publication
program.LST --  listing file written by most programs - may be printed
wingx.log   --  log file of all WinGX operations