diff options
| -rw-r--r-- | src/post-refinement.c | 6 |
1 files changed, 3 insertions, 3 deletions
diff --git a/src/post-refinement.c b/src/post-refinement.c index 5c6faeaa..60db4890 100644 --- a/src/post-refinement.c +++ b/src/post-refinement.c @@ -521,7 +521,7 @@ void write_specgraph(Crystal *crystal, const RefList *full, if ( cycle == 0 ) { fprintf(fh, "Image: %s %s\n", image->filename, get_event_string(image->event)); - fprintf(fh, "khalf/m 1/d(m) pcalc pobs iteration\n"); + fprintf(fh, "khalf/m 1/d(m) pcalc pobs iteration h k l\n"); } cell = crystal_get_cell(crystal); @@ -556,8 +556,8 @@ void write_specgraph(Crystal *crystal, const RefList *full, pobs = Ipart / Ifull; pcalc = get_partiality(refl); - fprintf(fh, "%e %e %f %f %s\n", get_khalf(refl), 2.0*res, - pcalc, pobs, ins); + fprintf(fh, "%e %e %f %f %s %4i %4i %4i\n", + get_khalf(refl), 2.0*res, pcalc, pobs, ins, h, k, l); } |