diff options
Diffstat (limited to 'libcrystfel/src/predict-refine.c')
| -rw-r--r-- | libcrystfel/src/predict-refine.c | 11 |
1 files changed, 8 insertions, 3 deletions
diff --git a/libcrystfel/src/predict-refine.c b/libcrystfel/src/predict-refine.c index 43a52cae..1c9e8504 100644 --- a/libcrystfel/src/predict-refine.c +++ b/libcrystfel/src/predict-refine.c @@ -191,16 +191,21 @@ static int pair_peaks(struct image *image, Crystal *cr, struct imagefeature *f; double h, k, l, hd, kd, ld; Reflection *refl; + double r[3]; /* Assume all image "features" are genuine peaks */ f = image_get_feature(image->features, i); if ( f == NULL ) continue; + detgeom_transform_coords(&image->detgeom->panels[f->pn], + f->fs, f->ss, image->lambda, + r); + /* Decimal and fractional Miller indices of nearest reciprocal * lattice point */ - hd = f->rx * ax + f->ry * ay + f->rz * az; - kd = f->rx * bx + f->ry * by + f->rz * bz; - ld = f->rx * cx + f->ry * cy + f->rz * cz; + hd = r[0] * ax + r[1] * ay + r[2] * az; + kd = r[0] * bx + r[1] * by + r[2] * bz; + ld = r[0] * cx + r[1] * cy + r[2] * cz; h = lrint(hd); k = lrint(kd); l = lrint(ld); |