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authorThomas White <taw@physics.org>2012-07-03 16:51:34 +0200
committerThomas White <taw@physics.org>2012-07-03 16:51:34 +0200
commit0fa8aa2c428f899758d3396380eb4994f63a3a40 (patch)
tree400e4cefee520918bd4c217f47e5cc9347101614 /src/compare_hkl.c
parent3921eb3ecf3c7cc466ebc8048b075378063ba15d (diff)
compare_hkl: Show resolution shell centre in Angstroms as well
Diffstat (limited to 'src/compare_hkl.c')
-rw-r--r--src/compare_hkl.c12
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);
}