Files and Formats

Input files

- DATA.INP: it should contain h k l F S (indices hkl, intensity and standard deviation; free format;

- DAT0i.OUT (i=1,5): working files; free format;

- DAT0i.END (i=1,5): working files; free format;

- DATA.DBL: weak reflections file; working file; free format;

- DATA.SPC: special reflections file; working file; free format;

- SEARCH.INP: list of specific reflections to be searched;

- info.inp: file of instructions; A4 format for the Kwd's, free format for the numerical parameters.

NOTES: DAT0i.OUT, DAT0i.END, DATA.DBL and DATA.SPC are also output files for some routines. The working files can be deleted with the d command of equiv (or the Clear button of the Graphical Interface).

 

Output files

- output.txt: main output file;

- CENTRO.OUT: file from centro-symm. reflections analysis (CENT card);

- DATA.SIG: merged reflections file with modified standard deviations;   format 3i4,2f8.2,i4;

- DATA2.SIG: file of reflections (not merged) with modified standard deviation; format 3i4,2f8.2,i4;

- DATA.HKL: file of merged DAT0i.END files (free format);

- DATA2.HKL: file of merged DAT0i.OUT files (free format);

- DATA.END: file of merged DAT0i.END files (ShelX format);

- DATA.OUT: file of merged DAT0i.OUT files (ShelX format);

- DATAX.OUT: file of reflections generated by the DELX card (ShelX format);

- SELECT.HKL: file of reflections selected by means of SELE card; free format;

- DIST.HKL: file of dummy reflections generated by DIST; free format;

- LIST.HKL: file of hkl indices only, created with LIST card;

- SORT.OUT: sorted file of hkl indices, created from LIST.HKL;

- equiv.prp: output file from smart.