/* * peaks.c * * Peak search and other image analysis * * (c) 2006-2010 Thomas White * * Part of CrystFEL - crystallography with a FEL * */ #ifdef HAVE_CONFIG_H #include #endif #include #include #include #include #include #include #include "image.h" #include "utils.h" #include "index.h" #include "peaks.h" #include "detector.h" #include "filters.h" #include "diffraction.h" #define MAX_HITS (1024) struct reflhit { signed int h; signed int k; signed int l; double min_distance; int x; int y; }; #define PEAK_WINDOW_SIZE (10) #define MAX_PEAKS (2048) #define INTEGRATION_RADIUS (10) static int in_streak(int x, int y) { if ( (y>512) && (y<600) && (abs(x-489)<15) ) return 1; if ( (y>600) && (abs(x-480)<25) ) return 1; return 0; } static int is_hot_pixel(struct image *image, int x, int y) { int dx, dy; int w, v; w = image->width; v = (1*image->data[x+w*y])/2; if ( x+1 >= image->width ) return 0; if ( x-1 < 0 ) return 0; if ( y+1 >= image->height ) return 0; if ( y-1 < 0 ) return 0; /* Must be at least one adjacent bright pixel */ for ( dx=-1; dx<=+1; dx++ ) { for ( dy=-1; dy<=+1; dy++ ) { if ( (dx==0) && (dy==0) ) continue; if ( image->data[(x+dx)+w*(y+dy)] >= v ) return 0; } } return 1; } /* Post-processing of the peak list to remove noise */ static void cull_peaks(struct image *image) { int i, n; int nelim = 0; n = image_feature_count(image->features); for ( i=0; ifeatures, i); if ( f == NULL ) continue; /* How many peaks are in exactly the same column? */ ncol = 0; for ( j=0; jfeatures, j); if ( g == NULL ) continue; if ( f->x == g->x ) ncol++; } /* More than three? */ if ( ncol <= 3 ) continue; /* Yes? Delete them all... */ nelim = 0; for ( j=0; jfeatures, j); if ( g == NULL ) continue; if ( f->x == g->x ) { image_remove_feature(image->features, j); nelim++; } } } //STATUS("%i peaks eliminated\n", nelim); } static void integrate_peak(struct image *image, int xp, int yp, float *xc, float *yc, float *intensity) { signed int x, y; const int lim = INTEGRATION_RADIUS * INTEGRATION_RADIUS; int total = 0; int xct = 0; int yct = 0; for ( x=-INTEGRATION_RADIUS; x<+INTEGRATION_RADIUS; x++ ) { for ( y=-INTEGRATION_RADIUS; y<+INTEGRATION_RADIUS; y++ ) { int val; /* Circular mask */ if ( x*x + y*y > lim ) continue; if ( ((x+xp)>=image->width) || ((x+xp)<0) ) continue; if ( ((y+yp)>=image->height) || ((y+yp)<0) ) continue; val = image->data[(x+xp)+image->width*(y+yp)]; total += val; xct += val*(xp+x); yct += val*(yp+y); } } /* The centroid is excitingly undefined if there is no intensity */ if ( total != 0 ) { *xc = (float)xct / total; *yc = (float)yct / total; *intensity = total; } else { *xc = (float)xp; *yc = (float)yp; *intensity = 0; } } void search_peaks(struct image *image) { int x, y, width, height; float *data; double d; int idx; float fx = 0.0; float fy = 0.0; float intensity = 0.0; int nrej_dis = 0; int nrej_hot = 0; int nrej_pro = 0; int nrej_fra = 0; int nacc = 0; data = image->data; width = image->width; height = image->height; if ( image->features != NULL ) { image_feature_list_free(image->features); } image->features = image_feature_list_new(); for ( x=1; xwidth-1; x++ ) { for ( y=1; yheight-1; y++ ) { double dx1, dx2, dy1, dy2; double dxs, dys; double grad; int mask_x, mask_y; int sx, sy; double max; unsigned int did_something; /* Overall threshold */ if ( data[x+width*y] < 800 ) continue; /* Ignore streak */ if ( in_streak(x, y) ) continue; /* Get gradients */ dx1 = data[x+width*y] - data[(x+1)+width*y]; dx2 = data[(x-1)+width*y] - data[x+width*y]; dy1 = data[x+width*y] - data[(x+1)+width*(y+1)]; dy2 = data[x+width*(y-1)] - data[x+width*y]; /* Average gradient measurements from both sides */ dxs = ((dx1*dx1) + (dx2*dx2)) / 2; dys = ((dy1*dy1) + (dy2*dy2)) / 2; /* Calculate overall gradient */ grad = dxs + dys; if ( grad < 100000 ) continue; mask_x = x; mask_y = y; do { max = data[mask_x+width*mask_y]; did_something = 0; for ( sy=biggest(mask_y-PEAK_WINDOW_SIZE/2, 0); sy max ) { max = data[sx+width*sy]; mask_x = sx; mask_y = sy; did_something = 1; } } } /* Abort if drifted too far from the foot point */ if ( distance(mask_x, mask_y, x, y) > 50.0 ) break; } while ( did_something ); /* Too far from foot point? */ if ( distance(mask_x, mask_y, x, y) > 50.0 ) { nrej_dis++; continue; } /* Should be enforced by bounds used above. Muppet check. */ assert(mask_x < image->width); assert(mask_y < image->height); assert(mask_x >= 0); assert(mask_y >= 0); /* Isolated hot pixel? */ if ( is_hot_pixel(image, mask_x, mask_y) ) { nrej_hot++; continue; } /* Centroid peak and get better coordinates */ integrate_peak(image, mask_x, mask_y, &fx, &fy, &intensity); /* It is possible for the centroid to fall outside the image */ if ( (fx < 0.0) || (fx > image->width) || (fy < 0.0) || (fy > image->height) ) { nrej_fra++; continue; } /* Check for a nearby feature */ image_feature_closest(image->features, fx, fy, &d, &idx); if ( d < 15.0 ) { nrej_pro++; continue; } /* Add using "better" coordinates */ image_add_feature(image->features, fx, fy, image, intensity, NULL); nacc++; } } STATUS("%i accepted, %i box, %i hot, %i proximity, %i outside frame\n", nacc, nrej_dis, nrej_hot, nrej_pro, nrej_fra); cull_peaks(image); } void dump_peaks(struct image *image) { int i; printf("x/px\ty/px\t(1/d)/nm^-1\n"); for ( i=0; ifeatures); i++ ) { double q, rx, ry, rz; struct imagefeature *f; f = image_get_feature(image->features, i); if ( f == NULL ) continue; map_position(image, f->x, f->y, &rx, &ry, &rz); q = modulus(rx, ry, rz); printf("%7.3f\t%7.3f\t%7.3f\t%7.3f\n", f->x, f->y, q/1.0e9, 1.0); } } void output_intensities(struct image *image, UnitCell *cell) { int x, y; double ax, ay, az; double bx, by, bz; double cx, cy, cz; struct reflhit hits[MAX_HITS]; int n_hits = 0; int i; cell_get_cartesian(cell, &ax, &ay, &az, &bx, &by, &bz, &cx, &cy, &cz); for ( x=0; xwidth; x++ ) { for ( y=0; yheight; y++ ) { double hd, kd, ld; /* Indices with decimal places */ double dh, dk, dl; /* Distances in h,k,l directions */ signed int h, k, l; struct rvec q; double dist; int found = 0; int j; q = get_q(image, x, y, 1, NULL, 1.0/image->lambda); hd = q.u * ax + q.v * ay + q.w * az; kd = q.u * bx + q.v * by + q.w * bz; ld = q.u * cx + q.v * cy + q.w * cz; h = (signed int)rint(hd); k = (signed int)rint(kd); l = (signed int)rint(ld); dh = hd - h; dk = kd - k; dl = ld - l; dist = sqrt(pow(dh, 2.0) + pow(dk, 2.0) + pow(dl, 2.0)); if ( dist > 0.1 ) continue; for ( j=0; jorientation.w, image->orientation.x, image->orientation.y, image->orientation.z); for ( i=0; ifeatures, x, y, &d, &idx); if ( (d < 10.0) && (f != NULL) ) { x = f->x; y = f->y; intensity = f->intensity; } /* 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); } /* Blank line at end */ printf("\n"); }