diff options
| author | Thomas White <taw@physics.org> | 2010-04-23 18:23:35 +0200 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2010-04-23 18:23:35 +0200 |
| commit | 98671482d165f798f604c0271c68297011860ec1 (patch) | |
| tree | 90a53cd88b0889572eca761557ac97f55fa1ef6c /src | |
| parent | 8c788132f5eb8ca35dafe229a3ad9c3739c90c89 (diff) | |
Use proper d-spacings in write_reflections()
Diffstat (limited to 'src')
| -rw-r--r-- | src/reflections.c | 8 |
1 files changed, 5 insertions, 3 deletions
diff --git a/src/reflections.c b/src/reflections.c index a5917d1e..c730977e 100644 --- a/src/reflections.c +++ b/src/reflections.c @@ -43,9 +43,11 @@ void write_reflections(const char *filename, unsigned int *counts, if ( zone_axis ) { double a, b, c, alpha, beta, gamma; cell_get_parameters(cell, &a, &b, &c, &alpha, &beta, &gamma); - fprintf(fh, "a %5.3f nm\n", a*1e9); - fprintf(fh, "b %5.3f nm\n", b*1e9); - fprintf(fh, "angle %5.3f deg\n", rad2deg(gamma)); + fprintf(fh, "a %5.3f nm\n", + (0.5/resolution(cell, 1, 0, 0))*1e9); + fprintf(fh, "b %5.3f nm\n", + (0.5/resolution(cell, 0, 1, 0))*1e9); + fprintf(fh, "angle %5.3f deg\n", rad2deg(alpha)); fprintf(fh, "scale 10\n"); } else { fprintf(fh, " h k l I sigma(I) 1/d / nm^-1\n"); |