diff options
Diffstat (limited to 'libcrystfel/src/peaks.c')
| -rw-r--r-- | libcrystfel/src/peaks.c | 17 |
1 files changed, 12 insertions, 5 deletions
diff --git a/libcrystfel/src/peaks.c b/libcrystfel/src/peaks.c index 685e8492..d55ddd03 100644 --- a/libcrystfel/src/peaks.c +++ b/libcrystfel/src/peaks.c @@ -600,15 +600,22 @@ int indexing_peak_check(struct image *image, Crystal **crystals, int n_cryst, if ( f == NULL ) continue; n_feat++; - /* Reciprocal space position of found peak */ - detgeom_transform_coords(&image->detgeom->panels[f->pn], - f->fs, f->ss, image->lambda, q); - for ( j=0; j<n_cryst; j++ ) { double ax, ay, az; double bx, by, bz; double cx, cy, cz; + double dx, dy; + + crystal_get_det_shift(crystals[j], &dx, &dy); + + /* Reciprocal space position of found peak, + * based on a calculation including any updates to the + * detector position from the refinement of the + * current crystal. */ + detgeom_transform_coords(&image->detgeom->panels[f->pn], + f->fs, f->ss, image->lambda, + dx, dy, q); cell_get_cartesian(crystal_get_cell(crystals[j]), &ax, &ay, &az, @@ -748,7 +755,7 @@ double estimate_peak_resolution(ImageFeatureList *peaks, double lambda, detgeom_transform_coords(&det->panels[f->pn], f->fs, f->ss, - lambda, r); + lambda, 0.0, 0.0, r); rns[i] = modulus(r[0], r[1], r[2]); } |