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authorThomas White <taw@physics.org>2012-10-22 16:27:03 -0700
committerThomas White <taw@physics.org>2012-10-22 16:27:03 -0700
commitb5afea064fba22f893fd32a5834bdb4017d96d30 (patch)
tree48644db0021dd4b6f194c23ae90808428c45e771 /libcrystfel
parent55787c925f647515c9f1bbe1b0eaf3c6b697a640 (diff)
indexamajig: Validate (re-integrate, check bad regions etc) peaks from HDF5
Diffstat (limited to 'libcrystfel')
-rw-r--r--libcrystfel/src/peaks.c78
-rw-r--r--libcrystfel/src/peaks.h3
2 files changed, 81 insertions, 0 deletions
diff --git a/libcrystfel/src/peaks.c b/libcrystfel/src/peaks.c
index 503d534d..bf6a92f0 100644
--- a/libcrystfel/src/peaks.c
+++ b/libcrystfel/src/peaks.c
@@ -831,3 +831,81 @@ void integrate_reflections(struct image *image, int use_closer, int bgsub,
free(il);
}
+
+
+void validate_peaks(struct image *image, double min_snr,
+ int ir_inn, int ir_mid, int ir_out)
+{
+ int i, n;
+ ImageFeatureList *flist;
+ int n_wtf, n_int, n_dft, n_snr, n_prx;
+
+ flist = image_feature_list_new();
+ if ( flist == NULL ) return;
+
+ n = image_feature_count(image->features);
+
+ /* Loop over peaks, putting each one through the integrator */
+ n_wtf = 0; n_int = 0; n_dft = 0; n_snr = 0; n_prx = 0;
+ for ( i=0; i<n; i++ ) {
+
+ struct imagefeature *f;
+ int r;
+ double d;
+ int idx;
+ double f_fs, f_ss;
+ double intensity, sigma;
+ struct panel *p;
+
+ f = image_get_feature(image->features, i);
+ if ( f == NULL ) {
+ n_wtf++;
+ continue;
+ }
+
+ p = find_panel(image->det, f->fs, f->ss);
+ if ( p == NULL ) {
+ n_wtf++;
+ continue;
+ }
+
+ r = integrate_peak(image, f->fs, f->ss,
+ &f_fs, &f_ss, &intensity, &sigma,
+ ir_inn, ir_mid, ir_out, 0, NULL, NULL);
+ if ( r ) {
+ n_int++;
+ continue;
+ }
+
+ /* It is possible for the centroid to fall outside the image */
+ if ( (f_fs < p->min_fs) || (f_fs > p->max_fs)
+ || (f_ss < p->min_ss) || (f_ss > p->max_ss) )
+ {
+ n_dft++;
+ continue;
+ }
+
+ if ( fabs(intensity)/sigma < min_snr ) {
+ n_snr++;
+ continue;
+ }
+
+ /* Check for a nearby feature */
+ image_feature_closest(flist, f_fs, f_ss, &d, &idx);
+ if ( d < 2.0*ir_inn ) {
+ n_prx++;
+ continue;
+ }
+
+ /* Add using "better" coordinates */
+ image_add_feature(flist, f_fs, f_ss, image, intensity, NULL);
+
+ }
+
+ //STATUS("HDF5: %i peaks, validated: %i. WTF: %i, integration: %i,"
+ // " drifted: %i, SNR: %i, proximity: %i\n",
+ // n, image_feature_count(flist),
+ // n_wtf, n_int, n_dft, n_snr, n_prx);
+ image_feature_list_free(image->features);
+ image->features = flist;
+}
diff --git a/libcrystfel/src/peaks.h b/libcrystfel/src/peaks.h
index afc7b868..39fdf54c 100644
--- a/libcrystfel/src/peaks.h
+++ b/libcrystfel/src/peaks.h
@@ -53,4 +53,7 @@ extern int peak_sanity_check(struct image *image);
extern void estimate_resolution(RefList *list, UnitCell *cell,
double *min, double *max);
+extern void validate_peaks(struct image *image, double min_snr,
+ int ir_inn, int ir_mid, int ir_out);
+
#endif /* PEAKS_H */