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authorThomas White <taw@physics.org>2010-04-23 18:23:35 +0200
committerThomas White <taw@physics.org>2010-04-23 18:23:35 +0200
commit98671482d165f798f604c0271c68297011860ec1 (patch)
tree90a53cd88b0889572eca761557ac97f55fa1ef6c /src
parent8c788132f5eb8ca35dafe229a3ad9c3739c90c89 (diff)
Use proper d-spacings in write_reflections()
Diffstat (limited to 'src')
-rw-r--r--src/reflections.c8
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");