diff options
| -rw-r--r-- | src/geometry.c | 11 |
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); } |