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-rw-r--r--src/geometry.c2
-rw-r--r--src/peaks.c58
-rw-r--r--src/peaks.h1
-rw-r--r--src/reintegrate.c1
4 files changed, 46 insertions, 16 deletions
diff --git a/src/geometry.c b/src/geometry.c
index 4ebe81cd..09865822 100644
--- a/src/geometry.c
+++ b/src/geometry.c
@@ -155,7 +155,7 @@ double integrate_all(struct image *image, struct reflhit *hits, int n)
float x, y, intensity;
if ( integrate_peak(image, hits[i].x, hits[i].y, &x, &y,
- &intensity, 0, 0) ) continue;
+ &intensity, NULL, NULL, 0, 0) ) continue;
itot += intensity;
}
diff --git a/src/peaks.c b/src/peaks.c
index 69859c9a..e9a10ab7 100644
--- a/src/peaks.c
+++ b/src/peaks.c
@@ -32,6 +32,7 @@
#include "diffraction.h"
+/* Maximum number of peaks which may be predicted by find_projected_peaks() */
#define MAX_HITS (1024)
/* How close a peak must be to an indexed position to be considered "close"
@@ -45,11 +46,16 @@
/* Degree of polarisation of X-ray beam */
#define POL (1.0)
-
+/* Window size for Zaefferer peak detection */
#define PEAK_WINDOW_SIZE (10)
-#define MAX_PEAKS (2048)
+
+/* Integration radius for peaks */
#define INTEGRATION_RADIUS (10)
+/* Integration radius for background estimation */
+#define OUT_INTEGRATION_RADIUS (15)
+
+
static int in_streak(int x, int y)
{
if ( (y>512) && (y<600) && (abs(x-489)<15) ) return 1;
@@ -179,16 +185,21 @@ static int cull_peaks(struct image *image)
* i.e. don't use result if return value is not zero. */
int integrate_peak(struct image *image, int xp, int yp,
float *xc, float *yc, float *intensity,
+ double *pbg, double *pmax,
int do_polar, int do_sa)
{
signed int x, y;
const int lim = INTEGRATION_RADIUS * INTEGRATION_RADIUS;
- double total = 0;
+ const int out_lim = OUT_INTEGRATION_RADIUS * OUT_INTEGRATION_RADIUS;
+ double total = 0.0;
int xct = 0;
int yct = 0;
+ double noise = 0.0;
+ int noise_counts = 0;
+ double max = 0.0;
- for ( x=-INTEGRATION_RADIUS; x<+INTEGRATION_RADIUS; x++ ) {
- for ( y=-INTEGRATION_RADIUS; y<+INTEGRATION_RADIUS; y++ ) {
+ for ( x=-OUT_INTEGRATION_RADIUS; x<+OUT_INTEGRATION_RADIUS; x++ ) {
+ for ( y=-OUT_INTEGRATION_RADIUS; y<+OUT_INTEGRATION_RADIUS; y++ ) {
struct panel *p = NULL;
double val, sa, pix_area, Lsq, dsq, proj_area;
@@ -196,8 +207,8 @@ int integrate_peak(struct image *image, int xp, int yp,
double phi, pa, pb, pol;
uint16_t flags;
- /* Circular mask */
- if ( x*x + y*y > lim ) continue;
+ /* Outer mask radius */
+ if ( x*x + y*y > out_lim ) continue;
if ( ((x+xp)>=image->width) || ((x+xp)<0) ) continue;
if ( ((y+yp)>=image->height) || ((y+yp)<0) ) continue;
@@ -210,6 +221,16 @@ int integrate_peak(struct image *image, int xp, int yp,
val = image->data[(x+xp)+image->width*(y+yp)];
+ /* Inner mask */
+ if ( x*x + y*y > lim ) {
+ /* Estimate noise from this region */
+ noise += fabs(val);
+ noise_counts++;
+ continue;
+ }
+
+ if ( val > max ) max = val;
+
p = find_panel(image->det, x+xp, y+yp);
if ( p == NULL ) return 1;
@@ -268,6 +289,13 @@ int integrate_peak(struct image *image, int xp, int yp,
*intensity = 0;
}
+ if ( pbg != NULL ) {
+ *pbg = (noise / noise_counts);
+ }
+ if ( pmax != NULL ) {
+ *pmax = max;
+ }
+
return 0;
}
@@ -383,7 +411,7 @@ void search_peaks(struct image *image, float threshold)
* Don't bother doing polarisation/SA correction, because the
* intensity of this peak is only an estimate at this stage. */
r = integrate_peak(image, mask_x, mask_y,
- &fx, &fy, &intensity, 0, 0);
+ &fx, &fy, &intensity, NULL, NULL, 0, 0);
if ( r ) {
/* Bad region - don't detect peak */
nrej_bad++;
@@ -701,6 +729,7 @@ void output_intensities(struct image *image, UnitCell *cell,
float x, y, intensity;
double d;
int idx;
+ double bg, max;
/* Wait.. is there a really close feature which was detected? */
if ( use_closer ) {
@@ -724,7 +753,8 @@ void output_intensities(struct image *image, UnitCell *cell,
* coordinates. This will produce further
* revised coordinates. */
r = integrate_peak(image, f->x, f->y, &x, &y,
- &intensity, polar, sa);
+ &intensity, &bg, &max,
+ polar, sa);
if ( r ) {
/* The original peak (which also went
* through integrate_peak(), but with
@@ -745,8 +775,8 @@ void output_intensities(struct image *image, UnitCell *cell,
r = integrate_peak(image,
image->hits[i].x,
image->hits[i].y,
- &x, &y, &intensity, polar,
- sa);
+ &x, &y, &intensity, &bg, &max,
+ polar, sa);
if ( r ) {
/* Plain old ordinary peak veto */
n_veto++;
@@ -766,7 +796,7 @@ void output_intensities(struct image *image, UnitCell *cell,
r = integrate_peak(image,
image->hits[i].x,
image->hits[i].y,
- &x, &y, &intensity, polar,
+ &x, &y, &intensity, &bg, &max, polar,
sa);
if ( r ) {
/* Plain old ordinary peak veto */
@@ -777,9 +807,9 @@ void output_intensities(struct image *image, UnitCell *cell,
}
/* Write h,k,l, integrated intensity and centroid coordinates */
- fprintf(ofh, "%3i %3i %3i %6f (at %5.2f,%5.2f)\n",
+ fprintf(ofh, "%3i %3i %3i %6f (at %5.2f,%5.2f) max=%6f bg=%6f\n",
image->hits[i].h, image->hits[i].k, image->hits[i].l,
- intensity, x, y);
+ intensity, x, y, max, bg);
image->hits[i].x = x;
image->hits[i].y = y;
diff --git a/src/peaks.h b/src/peaks.h
index ee5bccf7..163a407c 100644
--- a/src/peaks.h
+++ b/src/peaks.h
@@ -37,6 +37,7 @@ extern int find_projected_peaks(struct image *image, UnitCell *cell,
int circular_domain, double domain_r);
extern int integrate_peak(struct image *image, int xp, int yp,
float *xc, float *yc, float *intensity,
+ double *pbg, double *pmax,
int do_polar, int do_sa);
#endif /* PEAKS_H */
diff --git a/src/reintegrate.c b/src/reintegrate.c
index b45ef9c5..43db6092 100644
--- a/src/reintegrate.c
+++ b/src/reintegrate.c
@@ -65,7 +65,6 @@ struct queue_args
};
-
static void show_help(const char *s)
{
printf("Syntax: %s [options]\n\n", s);
generated by cgit v1.2.3 (git 2.25.1) at 2024-11-07 22:00:42 +0000