diff options
Diffstat (limited to 'src/peaks.c')
| -rw-r--r-- | src/peaks.c | 22 |
1 files changed, 13 insertions, 9 deletions
diff --git a/src/peaks.c b/src/peaks.c index c8260fc1..a5dce6c1 100644 --- a/src/peaks.c +++ b/src/peaks.c @@ -498,8 +498,9 @@ int peak_sanity_check(struct image *image, UnitCell *cell) } - STATUS("Sanity factor: %f / %f = %f\n", (float)n_sane, (float)image->n_hits, - (float)n_sane / (float)image->n_hits); + STATUS("Sanity factor: %f / %f = %f\n", (float)n_sane, + (float)image->n_hits, + (float)n_sane / (float)image->n_hits); if ( (float)n_sane / (float)image->n_hits < 0.8 ) return 0; return 1; @@ -519,7 +520,6 @@ void output_intensities(struct image *image, UnitCell *cell, double bsx, bsy, bsz; double csx, csy, csz; double a, b, c, al, be, ga; - struct reflhit *hits = image->hits; if ( image->n_hits == 0 ) find_projected_peaks(image, cell); if ( image->n_hits == 0 ) return; @@ -564,7 +564,8 @@ void output_intensities(struct image *image, UnitCell *cell, /* Wait.. is there a really close feature which was detected? */ if ( image->features != NULL ) { f = image_feature_closest(image->features, - hits[i].x, hits[i].y, + image->hits[i].x, + image->hits[i].y, &d, &idx); } else { f = NULL; @@ -593,7 +594,8 @@ void output_intensities(struct image *image, UnitCell *cell, int r; - r = integrate_peak(image, hits[i].x, hits[i].y, + r = integrate_peak(image, + image->hits[i].x,image->hits[i].y, &x, &y, &intensity, !unpolar); if ( r ) { /* Plain old ordinary peak veto */ @@ -609,10 +611,11 @@ void output_intensities(struct image *image, UnitCell *cell, /* Write h,k,l, integrated intensity and centroid coordinates */ printf("%3i %3i %3i %6f (at %5.2f,%5.2f)\n", - hits[i].h, hits[i].k, hits[i].l, intensity, x, y); + image->hits[i].h, image->hits[i].k, image->hits[i].l, + intensity, x, y); - hits[i].x = x; - hits[i].y = y; + image->hits[i].x = x; + image->hits[i].y = y; } @@ -628,7 +631,8 @@ void output_intensities(struct image *image, UnitCell *cell, double d; - d = pow(hits[j].x-f->x, 2.0) + pow(hits[j].y-f->y, 2.0); + d = pow(image->hits[j].x-f->x, 2.0) + + pow(image->hits[j].y-f->y, 2.0); if ( d < PEAK_CLOSE ) n_foundclose++; |