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authorThomas White <taw@bitwiz.org.uk>2010-06-11 10:57:26 -0700
committerThomas White <taw@bitwiz.org.uk>2010-06-11 10:57:26 -0700
commit1915044fdd7b7de700330450445be9fe5d5b2001 (patch)
tree78f485e683423f72d87aece9bc89080b10fc8e4c /src/peaks.c
parentbd5102f4285be6be6867102d271091473258340c (diff)
More SPOT
Diffstat (limited to 'src/peaks.c')
-rw-r--r--src/peaks.c22
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++;