diff options
| author | Thomas White <taw@physics.org> | 2010-03-18 14:38:14 +0100 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2010-03-18 14:38:14 +0100 |
| commit | 995e5b2e2fe4c793d1ab815d7282e653a65bf048 (patch) | |
| tree | bf10c9c0ecc46581cfb6a65c78a36d15f92a0f79 | |
| parent | a9dd92897ba82e3ebe1f9bfaf0430f14b5989e43 (diff) | |
get_hkl: Don't accidentally do a ZA pattern, add table header
| -rw-r--r-- | src/get_hkl.c | 2 | ||||
| -rw-r--r-- | src/reflections.c | 3 |
2 files changed, 4 insertions, 1 deletions
diff --git a/src/get_hkl.c b/src/get_hkl.c index e8c28a21..5252dc54 100644 --- a/src/get_hkl.c +++ b/src/get_hkl.c @@ -213,7 +213,7 @@ int main(int argc, char *argv[]) } - write_reflections(output, NULL, ref, 1, mol->cell); + write_reflections(output, NULL, ref, 0, mol->cell); return 0; } diff --git a/src/reflections.c b/src/reflections.c index 6c26150d..7ab187aa 100644 --- a/src/reflections.c +++ b/src/reflections.c @@ -46,6 +46,9 @@ void write_reflections(const char *filename, unsigned int *counts, fprintf(fh, "b %5.3f nm\n", b*1e9); fprintf(fh, "angle %5.3f deg\n", rad2deg(gamma)); fprintf(fh, "scale 10\n"); + } else { + + fprintf(fh, " h k l I sigma(I) 1/d / nm^-1\n"); } for ( h=-INDMAX; h<INDMAX; h++ ) { |