diff options
| -rw-r--r-- | src/hrs-scaling.c | 4 | ||||
| -rw-r--r-- | src/image.h | 2 | ||||
| -rw-r--r-- | src/partialator.c | 1 | ||||
| -rw-r--r-- | src/post-refinement.c | 30 |
4 files changed, 37 insertions, 0 deletions
diff --git a/src/hrs-scaling.c b/src/hrs-scaling.c index 5e7593f5..cbae682c 100644 --- a/src/hrs-scaling.c +++ b/src/hrs-scaling.c @@ -401,6 +401,10 @@ static RefList *lsq_intensities(struct image *images, int n, double G; Reflection *refl; + /* Don't scale intensities from this image if + * post refinement failed on the last step. */ + if ( images[m].pr_dud ) continue; + G = images[m].osf; for ( refl = find_refl(images[m].reflections, diff --git a/src/image.h b/src/image.h index d6e22aee..f60af673 100644 --- a/src/image.h +++ b/src/image.h @@ -82,6 +82,7 @@ typedef struct _imagefeaturelist ImageFeatureList; * int i0_available; * double osf; * double profile_radius; + * int pr_dud; * * int width; * int height; @@ -143,6 +144,7 @@ struct image { * from the input. */ double osf; /* Overall scaling factor */ double profile_radius; /* Radius of reflection */ + int pr_dud; /* Post refinement failed */ int width; int height; diff --git a/src/partialator.c b/src/partialator.c index 9418bbb1..aa55b81c 100644 --- a/src/partialator.c +++ b/src/partialator.c @@ -340,6 +340,7 @@ int main(int argc, char *argv[]) images[n_usable_patterns].height = det->max_ss; images[n_usable_patterns].osf = 1.0; images[n_usable_patterns].profile_radius = 0.005e9; + images[n_usable_patterns].pr_dud = 0; /* Muppet proofing */ images[n_usable_patterns].data = NULL; diff --git a/src/post-refinement.c b/src/post-refinement.c index 138e4cc9..d66458b6 100644 --- a/src/post-refinement.c +++ b/src/post-refinement.c @@ -486,7 +486,16 @@ void pr_refine(struct image *image, const RefList *full, const char *sym) i = 0; do { + double asx, asy, asz; + double bsx, bsy, bsz; + double csx, csy, csz; double dev; + int old_nexp, old_nfound; + + cell_get_reciprocal(image->indexed_cell, &asx, &asy, &asz, + &bsx, &bsy, &bsz, &csx, &csy, &csz); + old_nexp = nexp; + old_nfound = nfound; max_shift = pr_iterate(image, full, sym); @@ -500,6 +509,27 @@ void pr_refine(struct image *image, const RefList *full, const char *sym) i+1, max_shift, dev, nfound, nexp); } + if ( (double)nfound / (double)nexp < 0.5 ) { + + if ( verbose ) { + ERROR("Bad refinement step - backtracking.\n"); + ERROR("I'll come back to this image later.\n"); + } + + cell_set_reciprocal(image->indexed_cell, asx, asy, asz, + bsx, bsy, bsz, csx, csy, csz); + + update_partialities(image, sym, NULL, + &nexp, &nfound, &nnotfound); + + image->pr_dud = 1; + + return; + + } else { + image->pr_dud = 0; + } + i++; } while ( (max_shift > 0.01) && (i < MAX_CYCLES) ); |