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authorThomas White <taw@physics.org>2011-11-24 16:34:36 +0100
committerThomas White <taw@physics.org>2012-02-22 15:27:41 +0100
commitf97dc763fd1147fcb395fa9eab14a1bad257856b (patch)
treecd424bb518805f5d3a2c6641a27d0dc4768a7072 /src
parent4b22b97bf5afa483b36fc2c4b94da837d2e776b0 (diff)
compare_hkl: Put correct column heading in shells.dat
Diffstat (limited to 'src')
-rw-r--r--src/compare_hkl.c20
1 files changed, 19 insertions, 1 deletions
diff --git a/src/compare_hkl.c b/src/compare_hkl.c
index 93584903..4445b182 100644
--- a/src/compare_hkl.c
+++ b/src/compare_hkl.c
@@ -217,7 +217,25 @@ static void plot_shells(RefList *list1, RefList *list2, double scale,
return;
}
- fprintf(fh, "1/d centre Rsplit / %%\n");
+ switch ( config_shells ) {
+
+ case R_SHELL_RSPLIT :
+ fprintf(fh, "1/d centre Rsplit / %%\n");
+ break;
+
+ case R_SHELL_R1I :
+ fprintf(fh, "1/d centre R1(I) / %%\n");
+ break;
+
+ case R_SHELL_R1F :
+ fprintf(fh, "1/d centre R1(F) ignoring -ves / %%\n");
+ break;
+
+ default :
+ fprintf(fh, "1/d centre 0.0\n");
+ break;
+
+ }
for ( i=0; i<NBINS; i++ ) {