diff options
| author | Thomas White <taw@physics.org> | 2017-01-27 17:30:24 +0100 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2018-02-27 17:12:41 +0100 |
| commit | 8dc3af00b200812f8eec3bc9ada92a74fbdf4a82 (patch) | |
| tree | bc9e2052574a8bda24d3749cc558c2c1f0d315e1 /libcrystfel/src/geometry.c | |
| parent | ea1178d014eadb9fe8e24935693a5380b709ef33 (diff) | |
Record khalf for reflections
Diffstat (limited to 'libcrystfel/src/geometry.c')
| -rw-r--r-- | libcrystfel/src/geometry.c | 4 |
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); |