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authorThomas White <taw@physics.org>2011-04-13 17:11:49 +0200
committerThomas White <taw@physics.org>2012-02-22 15:27:24 +0100
commita11e066ba46a4ef51f5fa831a900a7db3678c717 (patch)
treeee9a45e357ff9adb8f99887b23e60a9859d443dd
parent60bb825ec2503e27def0c30ed9b5a39424d8c0a6 (diff)
Add a nasty fudge factor
-rw-r--r--src/geometry.c11
1 files changed, 7 insertions, 4 deletions
diff --git a/src/geometry.c b/src/geometry.c
index 914dadec..749c194e 100644
--- a/src/geometry.c
+++ b/src/geometry.c
@@ -249,14 +249,17 @@ RefList *find_intersections(struct image *image, UnitCell *cell,
&bsx, &bsy, &bsz,
&csx, &csy, &csz);
- mres = largest_q(image);
+ /* We add a horrific 20% fudge factor because bandwidth, divergence
+ * and so on mean reflections appear beyond the largest q */
+ mres = 1.2 * largest_q(image);
+
hmax = mres / modulus(asx, asy, asz);
kmax = mres / modulus(bsx, bsy, bsz);
lmax = mres / modulus(csx, csy, csz);
- for ( h=-hmax; h<hmax; h++ ) {
- for ( k=-kmax; k<kmax; k++ ) {
- for ( l=-lmax; l<lmax; l++ ) {
+ for ( h=-hmax; h<=hmax; h++ ) {
+ for ( k=-kmax; k<=kmax; k++ ) {
+ for ( l=-lmax; l<=lmax; l++ ) {
check_reflection(image, mres, output, reflections, h, k, l,
asx,asy,asz,bsx,bsy,bsz,csx,csy,csz);
}