diff options
Diffstat (limited to 'libcrystfel/src/integration.c')
| -rw-r--r-- | libcrystfel/src/integration.c | 30 |
1 files changed, 18 insertions, 12 deletions
diff --git a/libcrystfel/src/integration.c b/libcrystfel/src/integration.c index 4a66363b..c15d66ba 100644 --- a/libcrystfel/src/integration.c +++ b/libcrystfel/src/integration.c @@ -1533,7 +1533,7 @@ int integrate_rings_once(Reflection *refl, } -static double estimate_resolution(UnitCell *cell, ImageFeatureList *flist) +static double estimate_resolution(UnitCell *cell, struct image *image) { int i; const double min_dist = 0.25; @@ -1549,27 +1549,33 @@ static double estimate_resolution(UnitCell *cell, ImageFeatureList *flist) return INFINITY; } - for ( i=0; i<image_feature_count(flist); i++ ) { + for ( i=0; i<image_feature_count(image->features); i++ ) { struct imagefeature *f; double h, k, l, hd, kd, ld; - - /* Assume all image "features" are genuine peaks */ - f = image_get_feature(flist, i); - if ( f == NULL ) continue; - double ax, ay, az; double bx, by, bz; double cx, cy, cz; + double r[3]; + + /* Assume all image "features" are genuine peaks */ + f = image_get_feature(image->features, i); + if ( f == NULL ) continue; cell_get_cartesian(cell, - &ax, &ay, &az, &bx, &by, &bz, &cx, &cy, &cz); + &ax, &ay, &az, + &bx, &by, &bz, + &cx, &cy, &cz); + + 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); @@ -1680,7 +1686,7 @@ void integrate_all_5(struct image *image, IntegrationMethod meth, } res = estimate_resolution(crystal_get_cell(image->crystals[i]), - image->features); + image); crystal_set_resolution_limit(image->crystals[i], res); list = predict_to_res(image->crystals[i], res+push_res); |