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authorThomas White <taw@physics.org>2017-01-27 17:30:24 +0100
committerThomas White <taw@physics.org>2018-02-27 17:12:41 +0100
commit8dc3af00b200812f8eec3bc9ada92a74fbdf4a82 (patch)
treebc9e2052574a8bda24d3749cc558c2c1f0d315e1 /libcrystfel/src/geometry.c
parentea1178d014eadb9fe8e24935693a5380b709ef33 (diff)
Record khalf for reflections
Diffstat (limited to 'libcrystfel/src/geometry.c')
-rw-r--r--libcrystfel/src/geometry.c4
1 files changed, 3 insertions, 1 deletions
diff --git a/libcrystfel/src/geometry.c b/libcrystfel/src/geometry.c
index beae9a16..ff5cea4d 100644
--- a/libcrystfel/src/geometry.c
+++ b/libcrystfel/src/geometry.c
@@ -245,7 +245,7 @@ static Reflection *check_reflection(struct image *image, Crystal *cryst,
{
Reflection *refl;
double R, top;
- double kmin, kmax, k0, knom, k1;
+ double kmin, kmax, k0, knom, k1, khalf;
double dcs, exerr;
/* Don't predict 000 */
@@ -256,6 +256,7 @@ static Reflection *check_reflection(struct image *image, Crystal *cryst,
R = crystal_get_profile_radius(cryst);
top = R*R - xl*xl - yl*yl - zl*zl;
k0 = top/(2.0*(zl+R));
+ khalf = (- xl*xl - yl*yl - zl*zl) / (2.0*zl);
k1 = top/(2.0*(zl-R));
/* The reflection is excited if any of the reflection is within 2sigma
@@ -306,6 +307,7 @@ static Reflection *check_reflection(struct image *image, Crystal *cryst,
}
set_kpred(refl, knom);
+ set_khalf(refl, khalf);
set_exerr(refl, exerr);
set_lorentz(refl, 1.0);
set_symmetric_indices(refl, h, k, l);