diff options
| -rw-r--r-- | src/compare_hkl.c | 12 |
1 files changed, 6 insertions, 6 deletions
diff --git a/src/compare_hkl.c b/src/compare_hkl.c index 7e3a1634..56a0dc61 100644 --- a/src/compare_hkl.c +++ b/src/compare_hkl.c @@ -238,19 +238,19 @@ static void plot_shells(RefList *list1, RefList *list2, double scale, switch ( config_shells ) { case R_SHELL_RSPLIT : - fprintf(fh, "1/d centre Rsplit / %%\n"); + fprintf(fh, "1/d centre Rsplit / %% d (A)\n"); break; case R_SHELL_R1I : - fprintf(fh, "1/d centre R1(I) / %%\n"); + fprintf(fh, "1/d centre R1(I) / %% d (A)\n"); break; case R_SHELL_R1F : - fprintf(fh, "1/d centre R1(F) ignoring -ves / %%\n"); + fprintf(fh, "1/d centre R1(F) ignoring -ves / %% d (A)\n"); break; default : - fprintf(fh, "1/d centre 0.0\n"); + fprintf(fh, "1/d centre 0.0 d (A)\n"); break; } @@ -277,8 +277,8 @@ static void plot_shells(RefList *list1, RefList *list2, double scale, } - fprintf(fh, "%10.3f %10.2f %10i\n", - cen*1.0e-9, r*100.0, cts[i]); + fprintf(fh, "%10.3f %10.2f %10i %10.2f\n", + cen*1.0e-9, r*100.0, cts[i], (1.0/cen)*1e10); } |