Added Geoptimiser

1 files changed, 2440 insertions, 0 deletions

diff --git a/src/geoptimiser.c b/src/geoptimiser.c
new file mode 100644
index 00000000..002b7af6
--- /dev/null
+++ b/src/geoptimiser.c
@@ -0,0 +1,2440 @@
+/*
+ * geoptimiser.c
+ *
+ * Refines detector geometry
+ *
+ * Copyright © 2014 Deutsches Elektronen-Synchrotron DESY,
+ *                  a research centre of the Helmholtz Association.
+ *
+ * Authors:
+ *   2014 Thomas White <taw@physics.org>
+ *        Oleksandr Yefanov
+ *        Valerio Mariani
+ *
+ * This file is part of CrystFEL.
+ *
+ * CrystFEL is free software: you can redistribute it and/or modify
+ * it under the terms of the GNU General Public License as published by
+ * the Free Software Foundation, either version 3 of the License, or
+ * (at your option) any later version.
+ *
+ * CrystFEL is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+ * GNU General Public License for more details.
+ *
+ * You should have received a copy of the GNU General Public License
+ * along with CrystFEL.  If not, see <http://www.gnu.org/licenses/>.
+ *
+ */
+
+
+#include <stdlib.h>
+#include <stdio.h>
+#include <string.h>
+#include <getopt.h>
+#include <math.h>
+#include <ctype.h>
+#include <time.h>
+#include <float.h>
+
+#include <detector.h>
+#include <stream.h>
+#include <version.h>
+#include <crystal.h>
+#include <image.h>
+#include <utils.h>
+
+struct imagefeature;
+
+static void show_help(const char *s)
+{
+	printf("Syntax: %s [options] input.stream\n\n", s);
+	printf(
+"Refines detector geometry.\n"
+"\n"
+"  -h, --help                  Display this help message.\n"
+"\n"
+"      --version                        Print CrystFEL version number and\n"
+"                                        exit.\n"
+"  -i, --input=<filename>               Specify stream file to be used for \n"
+"                                        geometry optimization.\n"
+"  -g. --geometry=<file>                Get detector geometry from file.\n"
+"  -o, --output=<filename>              Output stream.\n"
+"  -q, --quadrants=<rg_coll>            Rigid group collection for quadrants.\n"
+"  -c, --connected=<rg_coll>            Rigid group collection for connected\n"
+"                                        ASICs.\n"
+"  -x, --min-num-peaks-per-pixel=<num>  Minimum number of peaks per pixel.\n"
+"                                        Default: 3. \n"
+"  -p, --min-num-peaks-per-panel=<num>  Minimum number of peaks per pixel.\n"
+"                                        Default: 100.\n"
+"  -l, --most-freq-clen                 Use only the most frequent camera\n"
+"                                        length.\n"
+"  -s, --individual-dist-offset         Use a distance offset for each panel.\n"
+"                                        Default: whole-detector offset.\n"
+"      --no-stretch                     Do not optimize distance offset.\n"
+"                                        Default: distance offset is optimized\n"
+"  -m  --max-peak-dist=<num>            Maximum distance between predicted and\n"
+"                                        detected peaks\n"
+"                                        Default: 4.0.\n"
+);
+}
+
+
+struct connected_data
+{
+	double sh_x;
+	double sh_y;
+	double cang;
+	double cstr;
+	int num_quad;
+	int num_peaks_per_pixel;
+	unsigned int n_peaks_in_conn;
+	char *name;
+};
+
+
+struct pattern {
+	ImageFeatureList *im_list;
+	RefList *ref_list;
+	double clen;
+	UnitCell **unit_cells;
+	int n_unit_cells;
+	double lambda;
+	char *filename;
+};
+
+
+struct pattern_list {
+	struct pattern **patterns;
+	int n_patterns;
+};
+
+
+struct single_pix_displ
+{
+	double dfs;
+	double dss;
+	struct single_pix_displ* ne;
+};
+
+
+struct connected_stretch_and_angles
+{
+	double *stretch_coeff;
+	unsigned int *num_angles;
+	int num_coeff;
+};
+
+
+static void compute_x_y(struct detector *det, double fs, double ss,
+                        double * x, double *y)
+{
+	struct panel *p;
+	double xs, ys;
+	double dfs, dss;
+
+	p = find_panel(det, fs, ss);
+
+	dss = ss-p->min_ss;
+	dfs = fs-p->min_fs;
+
+	xs = dfs*p->fsx + dss*p->ssx;
+	ys = dfs*p->fsy + dss*p->ssy;
+
+	*x = xs + p->cnx;
+	*y = ys + p->cny;
+}
+
+
+static Reflection *find_closest_reflection(RefList *rlist,
+                                         double fx, double fy,
+                                         struct detector *det,
+                                         double *d)
+{
+
+	double dmin = HUGE_VAL;
+	Reflection *closest = NULL;
+	Reflection *refl;
+	RefListIterator *iter;
+
+
+	for ( refl = first_refl(rlist, &iter);
+              refl != NULL;
+              refl = next_refl(refl, iter) )
+	{
+		double ds;
+		double rfs, rss;
+		double rx, ry;
+
+		get_detector_pos(refl, &rfs, &rss);
+
+		compute_x_y(det, rfs, rss, &rx, &ry);
+
+		ds = distance(rx, ry, fx, fy);
+
+		if ( ds < dmin ) {
+			dmin = ds;
+			closest = refl;
+		}
+
+	}
+
+	if ( dmin < HUGE_VAL ) {
+		*d = dmin;
+		return closest;
+	}
+
+	*d = +INFINITY;
+	return NULL;
+}
+
+
+static double compute_average_clen (struct detector *det, char **clen_from,
+                                    double *offset)
+{
+
+	int np, num_pan;
+	double sum_clen;
+
+	sum_clen = 0;
+	num_pan = 0;
+
+	for ( np=0; np<det->n_panels; np++ ) {
+
+		struct panel p = det->panels[np];
+
+		if ( p.clen_from != NULL ) {
+			*clen_from = strdup(p.clen_from);
+			*offset = p.coffset;
+			return -1;
+		} else {
+			sum_clen += p.clen+p.coffset;
+			num_pan += 1;
+		}
+
+	}
+
+	return sum_clen/num_pan;
+
+}
+
+
+static struct pattern_list *read_patterns_from_steam_file(const char *infile,
+                                                          struct detector *det)
+{
+
+	Stream *st;
+
+	struct pattern_list *pattern_list;
+
+	int max_patterns, n_chunks;
+
+	n_chunks = 0;
+	max_patterns = 0;
+
+	pattern_list = malloc(sizeof(struct pattern_list));
+	if ( pattern_list == NULL ) {
+		ERROR("Failed to allocate memory for loaded patterns.\n");
+		return NULL;
+	}
+	pattern_list->n_patterns =0;
+
+	pattern_list->patterns = malloc(1024*sizeof(struct pattern*));
+	if ( pattern_list->patterns == NULL ) {
+		ERROR("Failed to allocate memory for loaded patterns.\n");
+		free(pattern_list);
+		return NULL;
+	}
+	pattern_list->n_patterns = 0;
+	max_patterns = 1024;
+
+	st = open_stream_for_read(infile);
+	if ( st == NULL ) {
+		ERROR("Failed to open input stream '%s'\n", infile);
+		free(pattern_list->patterns);
+		free(pattern_list);
+		return NULL;
+	}
+
+	do {
+
+		struct image cur;
+		int i;
+
+		cur.det = det;
+		cur.stuff_from_stream = NULL;
+
+		if ( read_chunk_2(st, &cur, STREAM_READ_REFLECTIONS
+		     | STREAM_READ_PEAKS | STREAM_READ_UNITCELL) != 0 ) {
+			break;
+		}
+
+		n_chunks +=1;
+
+		if ( cur.n_crystals !=0 ) {
+
+			struct pattern *patn;
+			double avg_clen = 0.0;
+			double offset = 0.0;
+			char *clen_from;
+
+			if ( pattern_list->n_patterns == max_patterns ) {
+
+				struct pattern **patterns_new;
+
+				patterns_new = realloc(pattern_list->patterns,
+				               (max_patterns+1024)*sizeof(struct pattern *));
+				if ( patterns_new == NULL ) {
+					ERROR("Failed to allocate "
+					      "memory for loaded patterns.\n");
+					free(pattern_list->patterns);
+					free(pattern_list);
+					return NULL;
+				}
+
+				max_patterns += 1024;
+				pattern_list->patterns = patterns_new;
+			}
+
+			patn = malloc(sizeof(struct pattern));
+			if ( patn == NULL ) {
+				ERROR("Failed to allocate memory for loaded patterns.\n");
+				free(pattern_list->patterns);
+				free(pattern_list);
+				return NULL;
+			}
+			patn->filename = cur.filename;
+			patn->unit_cells = NULL;
+			patn->n_unit_cells = 0;
+			patn->im_list = cur.features;
+			patn->ref_list = reflist_new();
+
+			clen_from = NULL;
+			avg_clen = compute_average_clen(det, &clen_from, &offset);
+			if ( avg_clen == -1 ) {
+				avg_clen = extract_f_from_stuff(clen_from,
+				                                cur.stuff_from_stream)*1e-3;
+				avg_clen += offset;
+			}
+
+			patn->clen = avg_clen;
+			free(clen_from);
+
+			patn->lambda = cur.lambda;
+
+			for ( i=0; i<cur.n_crystals; i++ ) {
+
+				RefList *crystal_reflist;
+				Reflection *refl;
+				RefListIterator *iter;
+				UnitCell *cell;
+				UnitCell **new_unit_cells;
+
+				cell = crystal_get_cell(cur.crystals[0]);
+
+				new_unit_cells = realloc(patn->unit_cells,
+				                 (patn->n_unit_cells+1)*sizeof(UnitCell *));
+				if ( new_unit_cells == NULL ) {
+					ERROR("Failed to allocate memory for loaded patterns.\n");
+					free(pattern_list->patterns);
+					free(pattern_list);
+					free(patn);
+					return NULL;
+				}
+
+				new_unit_cells[patn->n_unit_cells] = cell;
+				patn->n_unit_cells++;
+				patn->unit_cells = new_unit_cells;
+
+				crystal_reflist = crystal_get_reflections(cur.crystals[i]);
+
+				for ( refl = first_refl(crystal_reflist, &iter);
+				      refl != NULL;
+				      refl = next_refl(refl, iter) )
+				{
+					Reflection *n;
+					int h, k, l;
+
+					get_indices(refl, &h, &k, &l);
+					n = add_refl(patn->ref_list, h, k, l);
+					copy_data(n, refl);
+
+				}
+
+			}
+
+			pattern_list->patterns[pattern_list->n_patterns] = patn;
+			pattern_list->n_patterns++;
+
+			if ( pattern_list->n_patterns%1000 == 0 ) {
+				STATUS("Loaded %i indexed patterns from %i total patterns\n",
+				       pattern_list->n_patterns, ++n_chunks);
+			}
+
+		}
+
+	} while ( 1 );
+
+	close_stream(st);
+
+	STATUS("Found %d indexed patterns in file %s (from a total of %d)\n",
+	       pattern_list->n_patterns, infile, n_chunks );
+
+	return pattern_list;
+}
+
+
+static struct rvec get_q_from_xyz(double rx, double ry, double dist, double l)
+{
+
+	struct rvec q;
+	double r = sqrt(rx*rx + ry*ry);
+	double twotheta = atan2(r, dist);
+	double az = atan2(ry, rx);
+
+	q.u = 1.0/(l*1e9) * sin(twotheta)*cos(az);
+	q.v = 1.0/(l*1e9) * sin(twotheta)*sin(az);
+	q.w = 1.0/(l*1e9) * (cos(twotheta) - 1.0);
+
+	return q;
+}
+
+
+static void compute_avg_cell_parameters(struct pattern_list *pattern_list,
+                                        double *avcp)
+{
+	int numavc;
+	int j, i;
+	double minc[6];
+	double maxc[6];
+
+	for (j=0; j<6; j++) {
+		minc[j] = 1e10;
+		maxc[j] = -1e10;
+	}
+	numavc = 0;
+	for (i=0; i<pattern_list->n_patterns; i++) {
+
+		struct pattern *ptn;
+		double cpar[6];
+		int j, cri;
+
+		ptn = pattern_list->patterns[i];
+
+		for ( cri=0; cri<ptn->n_unit_cells; cri++ ) {
+
+			cell_get_parameters(ptn->unit_cells[cri], &cpar[0],  // a
+			                                          &cpar[1],  // b
+			                                          &cpar[2],  // c
+			                                          &cpar[3],  // alpha
+			                                          &cpar[4],  // beta
+			                                          &cpar[5]); // gamma
+
+			cpar[0] *= 1e9;
+			cpar[1] *= 1e9;
+			cpar[2] *= 1e9;
+			cpar[3] = rad2deg(cpar[3]);
+			cpar[4] = rad2deg(cpar[4]);
+			cpar[5] = rad2deg(cpar[5]);
+
+			for ( j=0; j<6; j++ ) {
+				avcp[j] += cpar[j];
+				if (cpar[j]<minc[j]) minc[j] = cpar[j];
+				if (cpar[j]>maxc[j]) maxc[j] = cpar[j];
+			}
+			numavc++;
+
+		}
+
+	}
+
+	if ( numavc>0 ) {
+		for ( j=0; j<6; j++ ) avcp[j] /= numavc;
+	}
+
+	STATUS("Average cell coordinates:\n");
+	STATUS("Average a, b, c (in A): %6.3f, %6.3f, %6.3f\n",
+	       avcp[0],avcp[1],avcp[2]);
+	STATUS("Minimum -Maximum a, b, c:\n"
+	       "\t%6.3f - %6.3f,\n"
+	       "\t%6.3f - %6.3f,\n"
+	       "\t%6.3f - %6.3f\n",
+	       minc[0], maxc[0], minc[1], maxc[1], minc[2], maxc[2]);
+	STATUS("Average alpha,beta,gamma: %6.3f, %6.3f, %6.3f\n",
+	       avcp[3], avcp[4], avcp[5]);
+	STATUS("Minimum - Maximum alpha,beta,gamma:\n"
+	       "\t%5.2f - %5.2f,\n"
+	       "\t%5.2f - %5.2f,\n"
+	       "\t%5.2f - %5.2f\n",
+	       minc[3], maxc[3], minc[4], maxc[4], minc[5], maxc[5]);
+
+}
+
+
+static double compute_clen_to_use(struct pattern_list *pattern_list,
+                                    double istep, double *avcp,
+                                    double max_peak_distance,
+                                    int only_best_distance)
+{
+	int cp, i, u;
+	int num_clens;
+	int max_clens;
+	int best_clen;
+	int *clens_population;
+	double *clens;
+	double *lambdas;
+	double irecistep;
+	double min_braggp_dist;
+	double clen_to_use;
+	struct rvec cqu;
+
+	max_clens = 1024;
+
+	clens = calloc(max_clens,sizeof(double));
+	if ( clens == NULL ) {
+		ERROR("Failed to allocate memory for clen calculation.\n");
+		return -1.0;
+	}
+	clens_population = calloc(max_clens,sizeof(int));
+	if ( clens_population == NULL ) {
+		ERROR("Failed to allocate memory for clen calculation.\n");
+		free(clens);
+		return -1.0;
+	}
+	lambdas = calloc(max_clens,sizeof(double));
+	if ( lambdas == NULL ) {
+		ERROR("Failed to allocate memory for clen calculation.\n");
+		free(clens);
+		free(clens_population);
+		return -1.0;
+	}
+
+	num_clens = 0;
+
+	for ( cp=0; cp<pattern_list->n_patterns; cp++ )	{
+
+		int i;
+		int found = 0;
+
+		for ( i=0; i<num_clens; i++ ) {
+			if ( fabs(pattern_list->patterns[cp]->clen-clens[i])<0.0001 ) {
+				clens_population[i]++;
+				lambdas[i] += pattern_list->patterns[cp]->lambda;
+				found = 1;
+				break;
+			}
+		}
+
+		if ( found == 1) continue;
+
+		if ( num_clens == max_clens ) {
+
+			int *clens_population_new;
+			double *clens_new;
+			double *lambdas_new;
+
+			clens_population_new = realloc(clens_population,
+			                              (max_clens+1024)*sizeof(int));
+			clens_new = realloc(clens_population,
+				                   (max_clens+1024)*sizeof(double));
+			lambdas_new = realloc(clens_population,
+			                           (max_clens+1024)*sizeof(double));
+
+			if ( clens_new == NULL ||  clens_population_new == NULL ||
+			     lambdas_new == NULL) {
+				ERROR("Failed to allocate memory for "
+				      "camera length list\n");
+                free(clens);
+                free(clens_population);
+                free(lambdas);
+                return -1.0;
+			}
+
+			max_clens += 1024;
+			clens_population_new = clens_population;
+			clens = clens_new;
+			lambdas = lambdas_new;
+		}
+
+		clens[num_clens] = pattern_list->patterns[cp]->clen;
+		clens_population[num_clens] = 1;
+		lambdas[num_clens] = pattern_list->patterns[cp]->lambda;
+		num_clens++;
+
+	}
+
+
+	for ( u=0; u<num_clens; u++ ) {
+		lambdas[u] /= clens_population[u];
+	}
+
+	if ( num_clens == 1 ) {
+		STATUS("All patterns have the same camera length: %f\n", clens[0]);
+	} else {
+		STATUS("%i different camera lengths were found for the input "
+		       "patterns:\n", num_clens);
+	}
+
+	best_clen = 0;
+	clen_to_use = clens[0];
+	for ( i=0; i<num_clens; i++) {
+		if ( clens_population[i] >0) {
+			cqu = get_q_from_xyz(1/istep, 0, clens[i], lambdas[i]);
+
+			irecistep = 1/cqu.u;
+
+			min_braggp_dist = fmin(fmin(irecistep/avcp[0],irecistep/avcp[1]),
+			                       irecistep/avcp[2]);
+			STATUS("Camera length %0.4f was found %i times.\n"
+			       "Minimum inter-bragg peak distance (based on average cell "
+			       "parameters): %0.1f pixels\n",clens[i], clens_population[i],
+			       min_braggp_dist);
+			if ( min_braggp_dist<1.2*max_peak_distance ) {
+				STATUS("WARNING: The distance between Bragg peaks is too "
+				       "small: "
+				       "%0.1f < 1.2*%0.1f\n", min_braggp_dist,
+				       max_peak_distance);
+			}
+			if ( clens_population[i] > clens_population[best_clen] ) {
+				best_clen = i;
+				clen_to_use = clens[best_clen];
+			}
+		}
+	}
+
+	if ( only_best_distance ) {
+		STATUS("Only %i patterns with  CLEN=%0.4f will be used.\n",
+		       clens_population[best_clen], clen_to_use);
+	}
+
+	free(clens);
+	free(lambdas);
+	free(clens_population);
+
+	return clen_to_use;
+}
+
+
+static double comp_median(double *arr, unsigned int n)
+{
+
+	int low, high, median, middle, ll, hh;
+	double A;
+
+	if (n<1) return 0.0;
+
+	low = 0;
+	high = n-1 ;
+	median = (low + high) / 2;
+	while (1) {
+		if (high <= low) return arr[median] ;
+
+		if (high == low + 1) {
+			if (arr[low] > arr[high]) {
+				A = arr[low];
+				arr[low] = arr[high];
+				arr[high] = A;
+			}
+			return arr[median] ;
+		}
+
+		/* Find median of low, middle and high items; swap into position low */
+		middle = (low + high) / 2;
+		if ( arr[middle]>arr[high] ) {
+			A = arr[middle];
+			arr[middle] = arr[high];
+			arr[high] = A;
+		}
+		if ( arr[low]>arr[high] ) {
+			A = arr[low];
+			arr[low] = arr[high];
+			arr[high] = A;
+		}
+		if ( arr[middle]>arr[low] ) {
+			A = arr[middle];
+			arr[middle] = arr[low];
+			arr[low] = A;
+		}
+
+		/* Swap low item (now in position middle) into position (low+1) */
+		A = arr[middle];
+		arr[middle] = arr[low+1];
+		arr[low+1] = A;
+
+		/* Nibble from each end towards middle, swapping items when stuck */
+		ll = low + 1;
+		hh = high;
+		while (1) {
+			do ll++; while (arr[low] > arr[ll]);
+			do hh--; while (arr[hh]  > arr[low]);
+
+			if (hh < ll) break;
+
+			A = arr[ll];
+			arr[ll] = arr[hh];
+			arr[hh] = A;
+		}
+
+		A = arr[low];
+		arr[low] = arr[hh];
+		arr[hh] = A;
+
+		/* Re-set active partition */
+		if ( hh<=median ) low = ll;
+	        if ( hh>=median ) high = hh-1;
+	}
+
+	return 0.0;
+}
+
+
+static int find_quad_for_connected(struct rigid_group *rg,
+                                   struct rg_collection *quadrants)
+{
+	struct panel *p;
+	int qi;
+
+	// The quadrant for a group of connected panels is the quadrant to which
+	// the first panel in the connected set belong
+	p = rg->panels[0];
+
+	for ( qi=0; qi<quadrants->n_rigid_groups; qi++ ) {
+		if ( panel_is_in_rigid_group(quadrants->rigid_groups[qi], p) ) {
+			return qi;
+		}
+	}
+
+	// Hopefully never reached
+	return -1;
+}
+
+
+static void free_all_curr_pix_displ(struct single_pix_displ *all_pix_displ,
+                                    struct single_pix_displ **curr_pix_displ,
+                                    int num_pix_in_slab)
+{
+    int i;
+    struct single_pix_displ *curr = NULL;
+    struct single_pix_displ *next = NULL;
+
+    for ( i=0; i<num_pix_in_slab; i++ ) {
+
+        curr = &all_pix_displ[i];
+
+
+        if ( curr->ne != NULL ) {
+            curr = curr->ne;
+            while ( curr != NULL ) {
+                next = curr->ne;
+                free(curr);
+                curr = next;
+            }
+        }
+    }
+
+    free(curr_pix_displ);
+    free(all_pix_displ);
+}
+
+
+static int compute_pixel_statistics(struct pattern_list *pattern_list,
+                                     struct detector *det,
+                                     struct rg_collection *connected,
+                                     struct rg_collection *quadrants,
+                                     int num_pix_in_slab,
+                                     int max_peak_distance, int array_width,
+                                     double default_fill_value,
+                                     double min_num_peaks_per_pixel,
+                                     double min_num_peaks_per_panel,
+                                     int only_best_distance,
+                                     double clen_to_use,
+                                     double *slab_to_x, double *slab_to_y,
+                                     struct connected_data *conn_data,
+                                     double *displ_x,
+                                     double *displ_y, double *displ_abs,
+                                     struct single_pix_displ* all_pix_displ,
+                                     struct single_pix_displ** curr_pix_displ,
+                                     int *num_pix_displ)
+{
+	int ipx, cp, ich, di, ip, np;
+
+	for (di=0; di<connected->n_rigid_groups; di++) {
+
+		conn_data[di].num_quad = find_quad_for_connected(
+		                                       connected->rigid_groups[di],
+		                                       quadrants);
+		conn_data[di].cang = 0.0;
+		conn_data[di].cstr = 1.0;
+		conn_data[di].sh_x = default_fill_value;
+		conn_data[di].sh_y = default_fill_value;
+		conn_data[di].num_peaks_per_pixel = 1;
+		conn_data[di].name = connected->rigid_groups[di]->name;
+		conn_data[di].n_peaks_in_conn = 0;
+	}
+
+
+	for ( ipx=0; ipx<num_pix_in_slab; ipx++ ) {
+		all_pix_displ[ipx].dfs = default_fill_value;
+		all_pix_displ[ipx].dss = default_fill_value;
+		all_pix_displ[ipx].ne = NULL;
+		curr_pix_displ[ipx] = &all_pix_displ[ipx];
+		num_pix_displ[ipx] = 0;
+	}
+
+	for ( cp=0; cp<pattern_list->n_patterns; cp++ ) {
+
+		ImageFeatureList *flist = pattern_list->patterns[cp]->im_list;
+
+		if ( only_best_distance ) {
+			if ( fabs(pattern_list->patterns[cp]->clen-clen_to_use)>0.0001 ) {
+				continue;
+			}
+		}
+
+		for ( ich=0;
+		      ich<image_feature_count(pattern_list->patterns[cp]->im_list);
+		      ich++ ) {
+
+			double min_dist;
+			double fx, fy;
+			double rfs, rss;
+			double crx, cry;
+			Reflection *refl;
+
+			RefList *rlist = pattern_list->patterns[cp]->ref_list;
+
+			struct imagefeature *imfe = image_get_feature(flist, ich);
+			compute_x_y(det, imfe->fs, imfe->ss, &fx, &fy);
+
+			refl = find_closest_reflection(rlist, fx, fy, det, &min_dist);
+
+			if ( refl == NULL ) continue;
+
+			if ( min_dist<max_peak_distance ) {
+
+				int ipx = ((int)rint(imfe->fs) + array_width*
+				           (int)rint(imfe->ss));
+
+				if ( num_pix_displ[ipx]>0 ) {
+					curr_pix_displ[ipx]->ne = malloc(sizeof(
+					                                 struct single_pix_displ));
+					if ( curr_pix_displ[ipx]->ne == NULL ) {
+						ERROR("Failed to allocate memory for pixel "
+						      "statistics.\n");
+						return 1;
+					}
+
+					curr_pix_displ[ipx] = curr_pix_displ[ipx]->ne;
+				}
+
+				get_detector_pos(refl, &rfs, &rss);
+				compute_x_y(det, rfs, rss, &crx, &cry);
+				get_detector_pos(refl, &rfs, &rss);
+				curr_pix_displ[ipx]->dfs = (fx-crx);
+				curr_pix_displ[ipx]->dss = (fy-cry);
+				curr_pix_displ[ipx]->ne = NULL;
+				num_pix_displ[ipx]++;
+			}
+		}
+	}
+
+	for ( np=min_num_peaks_per_pixel; np>0; np-- ) {
+		for ( di=0; di<connected->n_rigid_groups; di++ ) {
+			if ( conn_data[di].num_peaks_per_pixel>np ) {
+				continue;
+			}
+
+			for (ip=0; ip<connected->rigid_groups[di]->n_panels; ip++) {
+
+				struct panel *p;
+				int ifs, iss;
+
+				p = connected->rigid_groups[di]->panels[ip];
+
+				for ( ifs=p->min_fs; ifs<p->max_fs+1; ifs++ ) {
+					for ( iss=p->min_ss; iss<p->max_ss+1; iss++ ) {
+						if ( num_pix_displ[ifs+array_width*iss]>=np ) {
+
+							double *cPxAfs;
+							double *cPxAss;
+							int cnu = 0;
+
+							cPxAfs = calloc(num_pix_displ[ifs+array_width*iss],
+							                sizeof(double));
+							if ( cPxAfs == NULL ) {
+								ERROR("Failed to allocate memory for "
+								      "pixel statistics.\n");
+								return 1;
+							}
+							cPxAss = calloc(num_pix_displ[ifs+array_width*iss],
+								            sizeof(double));
+							if ( cPxAss == NULL ) {
+								ERROR("Failed to allocate memory for "
+								      "pixel statistics.\n");
+								free(cPxAfs);
+								return 1;
+							}
+
+							curr_pix_displ[ifs+array_width*iss] =
+							               &all_pix_displ[ifs+array_width*iss];
+
+							while (1) {
+								if (curr_pix_displ[ifs+array_width*iss]->dfs
+								    == default_fill_value) break;
+								cPxAfs[cnu] =
+								      curr_pix_displ[ifs+array_width*iss]->dfs;
+								cPxAss[cnu] =
+								      curr_pix_displ[ifs+array_width*iss]->dss;
+								cnu++;
+								if ( curr_pix_displ[ifs+array_width*iss]->ne ==
+								     NULL ) break;
+								curr_pix_displ[ifs+array_width*iss] =
+								        curr_pix_displ[ifs+array_width*iss]->ne;
+
+							}
+
+							if ( cnu<1 ) continue;
+
+							displ_x[ifs+array_width*iss] =
+							       comp_median(cPxAfs, cnu);
+							displ_y[ifs+array_width*iss] =
+							       comp_median(cPxAss, cnu);
+							displ_abs[ifs+array_width*iss] = modulus2d(
+							displ_x[ifs+array_width*iss],
+							displ_y[ifs+array_width*iss]);
+							conn_data[di].n_peaks_in_conn++;
+
+							free(cPxAfs);
+							free(cPxAss);
+
+						} else {
+							displ_x[ifs+array_width*iss] = default_fill_value;
+							displ_y[ifs+array_width*iss] = default_fill_value;
+							displ_abs[ifs+array_width*iss] = default_fill_value;
+						}
+					}
+				}
+			}
+			if ( conn_data[di].n_peaks_in_conn>=min_num_peaks_per_panel ) {
+				conn_data[di].num_peaks_per_pixel = np;
+			}
+		}
+	}
+
+    return 0;
+}
+
+
+static double compute_error(struct rg_collection *connected,
+                            int array_width,
+                            struct connected_data *conn_data,
+                            int *num_pix_displ,
+                            double *displ_abs)
+{
+	double total_error = 0;
+	int num_total_error = 0;
+	int di, ip;
+
+	for ( di=0;di<connected->n_rigid_groups;di++ ) {
+
+		struct panel *p;
+		double connected_error = 0;
+		int num_connected_error = 0;
+		int ifs, iss;
+
+		for (ip=0; ip<connected->rigid_groups[di]->n_panels; ip++) {
+
+			p = connected->rigid_groups[di]->panels[ip];
+
+			for (ifs=p->min_fs; ifs<p->max_fs+1; ifs++) {
+				for (iss=p->min_ss; iss<p->max_ss+1; iss++) {
+					if ( num_pix_displ[ifs+array_width*iss]>=
+					     conn_data[di].num_peaks_per_pixel ) {
+
+						double cer;
+
+						cer = displ_abs[ifs+array_width*iss]*
+						      displ_abs[ifs+array_width*iss];
+						connected_error += cer;
+						num_connected_error++;
+						total_error += cer;
+						num_total_error++;
+					}
+				}
+			}
+		}
+
+		if ( num_connected_error>0 ) {
+			connected_error /= (double)num_connected_error;
+			connected_error = sqrt(connected_error);
+
+			STATUS("Error for connected group %s (%d peaks): "
+			       "<delta^2> = %0.4f\n", conn_data[di].name,
+			       conn_data[di].num_peaks_per_pixel,
+			       connected_error);
+		}
+	}
+
+	if ( num_total_error>0 ) {
+		total_error /= (double)num_total_error;
+		total_error = sqrt(total_error);
+	} else {
+		total_error = -1;
+	}
+
+	return total_error;
+}
+
+
+static void fill_coordinate_matrices(struct detector *det, int array_width,
+                                     double *slab_to_x, double *slab_to_y)
+{
+	int pi;
+
+	for ( pi=0; pi<det->n_panels; pi++ ) {
+
+		struct panel *p;
+		int iss, ifs;
+
+		p = &det->panels[pi];
+
+        for (iss=p->min_ss; iss < p->max_ss+1; iss++) {
+            for (ifs=p->min_fs; ifs < p->max_fs+1; ifs++) {
+
+				double xs, ys;
+
+				compute_x_y(det, ifs, iss, &xs, &ys);
+
+				slab_to_x[iss*array_width+ifs] = xs;
+				slab_to_y[iss*array_width+ifs] = ys;
+
+			}
+		}
+	}
+}
+
+
+static int correct_empty_panels(struct rg_collection *quadrants,
+                                 struct rg_collection *connected,
+                                 int min_num_peaks_per_panel,
+                                 struct connected_data *conn_data)
+{
+	double *aver_ang;
+	double *aver_str;
+	int *aver_num_ang;
+
+	int di,i;
+
+	aver_ang = malloc(quadrants->n_rigid_groups*sizeof(double));
+	if ( aver_ang == NULL ) {
+		ERROR("Failed to allocate memory to correct empty panels.|n");
+		return 1;
+	}
+	aver_str = malloc(quadrants->n_rigid_groups*sizeof(double));
+	if ( aver_str == NULL ) {
+		ERROR("Failed to allocate memory to correct empty panels.|n");
+		free(aver_ang);
+		return 1;
+	}
+	aver_num_ang = malloc(quadrants->n_rigid_groups*sizeof(int));
+	if ( aver_num_ang == NULL ) {
+		ERROR("Failed to allocate memory to correct empty panels.|n");
+		free(aver_ang);
+		free(aver_str);
+		return 1;
+	}
+
+	for (i=0; i<quadrants->n_rigid_groups; i++) {
+		aver_ang[i] = 0;
+		aver_str[i] = 0;
+		aver_num_ang[i] = 0;
+	}
+
+	for (di=0; di<connected->n_rigid_groups; di++) {
+		if ( conn_data[di].n_peaks_in_conn>=min_num_peaks_per_panel ) {
+			aver_ang[conn_data[di].num_quad] += conn_data[di].cang;
+			aver_str[conn_data[di].num_quad] += conn_data[di].cstr;
+			aver_num_ang[conn_data[di].num_quad]++;
+		}
+	}
+
+	for ( i=0; i<quadrants->n_rigid_groups; i++ ) {
+		if ( aver_num_ang[i]>0 ) {
+			aver_ang[i] /= (double)aver_num_ang[i];
+			aver_str[i] /= (double)aver_num_ang[i];
+		}
+	}
+
+	for ( di=0; di<connected->n_rigid_groups; di++ ) {
+
+		if ( conn_data[di].n_peaks_in_conn<min_num_peaks_per_panel ) {
+			if (aver_num_ang[conn_data[di].num_quad]>0) {
+				conn_data[di].cang = aver_ang[conn_data[di].num_quad];
+				conn_data[di].cstr = aver_str[conn_data[di].num_quad];
+				STATUS("Connected group %s has not enough peaks (%i). Using"
+				       " average angle: %0.4f\n", conn_data[di].name,
+				       conn_data[di].n_peaks_in_conn, conn_data[di].cang);
+			} else {
+				STATUS("Connected group %s has not enough peaks (%i). Left "
+				       "unchanged\n", conn_data[di].name,
+				       conn_data[di].n_peaks_in_conn);
+			}
+		}
+	}
+
+	free(aver_ang);
+	free(aver_str);
+	free(aver_num_ang);
+
+    return 0;
+}
+
+
+static void correct_angle_and_stretch(struct rg_collection *connected,
+                                      struct detector *det,
+                                      struct connected_data *conn_data,
+                                      double use_clen, double stretch_coeff,
+                                      int individual_coffset)
+{
+
+	int di, ip;
+
+	for ( di=0; di<connected->n_rigid_groups; di++ ) {
+		for ( ip=0; ip<connected->rigid_groups[di]->n_panels; ip++ ) {
+
+			struct panel *p;
+			double newx, newy;
+
+			p = connected->rigid_groups[di]->panels[ip];
+
+			newx =
+			    p->fsx*cos(conn_data[di].cang)-p->fsy*sin(conn_data[di].cang);
+			newy =
+			    p->fsx*sin(conn_data[di].cang)+p->fsy*cos(conn_data[di].cang);
+			p->fsx = newx;
+			p->fsy = newy;
+			newx =
+			    p->ssx*cos(conn_data[di].cang)-p->ssy*sin(conn_data[di].cang);
+			newy =
+			    p->ssx*sin(conn_data[di].cang)+p->ssy*cos(conn_data[di].cang);
+			p->ssx = newx;
+			p->ssy = newy;
+		}
+	}
+
+
+	if ( individual_coffset == 0 ) {
+
+		int pi;
+
+		for (pi=0; pi<det->n_panels; pi++) {
+			det->panels[pi].coffset -= use_clen*(1.0-stretch_coeff);
+		}
+		STATUS("Using a single offset distance for the whole detector: %f\n",
+		       det->panels[0].coffset);
+
+		for ( di=0; di<connected->n_rigid_groups; di++ ) {
+			conn_data[di].cstr = stretch_coeff;
+		}
+
+	} else {
+
+		STATUS("Using individual distances for rigid panels\n");
+		for ( di=0; di<connected->n_rigid_groups; di++ ) {
+			for ( ip=0; ip<connected->rigid_groups[di]->n_panels; ip++ ) {
+
+				struct panel *p;
+
+				p = connected->rigid_groups[di]->panels[ip];
+				p->coffset -= (1.0-conn_data[di].cstr)*p->clen;
+
+			}
+		}
+	}
+}
+
+
+static void shift_panels(struct rg_collection *connected,
+                         struct connected_data *conn_data)
+{
+
+	int di, ip;
+
+	for ( di=0; di<connected->n_rigid_groups; di++ ) {
+		for ( ip=0; ip<connected->rigid_groups[di]->n_panels; ip++ ) {
+
+			struct panel *p;
+
+			p = connected->rigid_groups[di]->panels[ip];
+
+			if ( ip == 0 ) {
+
+				p->cnx *= conn_data[di].cstr;
+				p->cny *= conn_data[di].cstr;
+
+			} else {
+
+				struct panel *p0;
+				double connected_panel_dist;
+
+				p0 = connected->rigid_groups[di]->panels[0];
+
+				connected_panel_dist = modulus2d(
+				                       p->cnx-p0->cnx/conn_data[di].cstr,
+				                       p->cny-p0->cny/conn_data[di].cstr
+				);
+
+				p->cnx = p0->cnx + connected_panel_dist*p0->fsx;
+				p->cny = p0->cny + connected_panel_dist*p0->fsy;
+			}
+		}
+	}
+}
+
+
+static void recompute_differences(struct rg_collection *connected,
+                             double *slab_to_x, double *slab_to_y,
+                             double *recomputed_slab_to_x,
+                             double *recomputed_slab_to_y,
+                             struct connected_data *conn_data,
+                             int stretch_coeff, int array_width,
+                             double *displ_x, double *displ_y,
+                             int *num_pix_displ)
+{
+
+	int di, ip;
+
+	for ( di=0; di<connected->n_rigid_groups; di++ ) {
+		for (ip=0; ip<connected->rigid_groups[di]->n_panels; ip++) {
+
+			double c_stretch;
+			struct panel *p;
+			int ifs, iss;
+
+			c_stretch = conn_data[di].cstr;
+
+			if ( fabs(c_stretch)<FLT_EPSILON ) c_stretch = stretch_coeff;
+
+			p = connected->rigid_groups[di]->panels[ip];
+
+			for ( ifs=p->min_fs; ifs<p->max_fs+1; ifs++ ) {
+				for ( iss=p->min_ss; iss<p->max_ss+1; iss++ ) {
+					recomputed_slab_to_x[ifs+array_width*iss] /= c_stretch;
+					recomputed_slab_to_y[ifs+array_width*iss] /= c_stretch;
+					if ( num_pix_displ[ifs+array_width*iss] >=
+					     conn_data[di].num_peaks_per_pixel) {
+
+					displ_x[ifs+array_width*iss] -=
+					       (slab_to_x[ifs+array_width*iss]-
+					        recomputed_slab_to_x[ifs+array_width*iss]);
+					displ_y[ifs+array_width*iss] -=
+						(slab_to_y[ifs+array_width*iss]-
+					        recomputed_slab_to_y[ifs+array_width*iss]);
+					}
+				}
+			}
+		}
+	}
+}
+
+
+static int compute_shifts(struct rg_collection *connected,
+                          struct connected_data *conn_data,
+                          int *num_pix_displ, int array_width,
+                          int min_num_peaks_per_panel,
+                          double default_fill_value, double max_peak_distance,
+                          double *displ_x, double *displ_y )
+{
+	STATUS("Median for panels\n");
+
+	int di, ip;
+
+	for ( di=0; di<connected->n_rigid_groups; di++ ) {
+
+		int cmaxfs;
+		int cmaxss;
+		int num_all_pixels;
+		double *av_in_panel_fs;
+		double *av_in_panel_ss;
+
+		cmaxfs = connected->rigid_groups[di]->panels[0]->max_fs+1-
+		         connected->rigid_groups[di]->panels[0]->min_fs;
+		cmaxss = connected->rigid_groups[di]->panels[0]->max_ss+1-
+	                 connected->rigid_groups[di]->panels[0]->min_ss;
+
+		num_all_pixels = cmaxfs*cmaxss*connected->rigid_groups[di]->n_panels;
+
+		av_in_panel_fs = malloc(num_all_pixels*sizeof(double));
+		if  ( av_in_panel_fs == NULL ) {
+			ERROR("Failed to allocate memory for computing shifts\n");
+			return 1;
+		}
+		av_in_panel_ss = malloc(num_all_pixels*sizeof(double));
+		if  ( av_in_panel_ss == NULL ) {
+			ERROR("Failed to allocate memory for computing shifts\n");
+			free(av_in_panel_fs);
+			return 1;
+		}
+
+		conn_data[di].n_peaks_in_conn = 0;
+
+		for (ip=0; ip<connected->rigid_groups[di]->n_panels; ip++) {
+
+			struct panel *p;
+			int ifs, iss;
+
+			p = connected->rigid_groups[di]->panels[ip];
+
+			for ( ifs=p->min_fs; ifs<p->max_fs+1; ifs++ ) {
+				for ( iss=p->min_ss; iss<p->max_ss+1; iss++ ) {
+
+					if (num_pix_displ[ifs+array_width*iss]>=
+					    conn_data[di].num_peaks_per_pixel) {
+						av_in_panel_fs[conn_data[di].n_peaks_in_conn] =
+						              displ_x[ifs+array_width*iss];
+						av_in_panel_ss[conn_data[di].n_peaks_in_conn] =
+						              displ_y[ifs+array_width*iss];
+						conn_data[di].n_peaks_in_conn++;
+					}
+				}
+			}
+		}
+
+		if ( conn_data[di].n_peaks_in_conn>=min_num_peaks_per_panel ) {
+
+			conn_data[di].sh_x =
+			     comp_median(av_in_panel_fs, conn_data[di].n_peaks_in_conn);
+			conn_data[di].sh_y =
+			     comp_median(av_in_panel_ss, conn_data[di].n_peaks_in_conn);
+			STATUS("Panel %s, num pixels: %i, shifts X,Y: %0.8f, %0.8f\n",
+			       conn_data[di].name, conn_data[di].n_peaks_in_conn,
+			       conn_data[di].sh_x, conn_data[di].sh_y);
+			if ( modulus2d(conn_data[di].sh_x, conn_data[di].sh_y)>
+			     0.8*max_peak_distance ) {
+				STATUS("  WARNING: absolute shift is: %0.1f > 0.8*%0.1f. "
+				     "Increase the value of the max_peak_distance parameter!\n",
+				     modulus2d(conn_data[di].sh_x, conn_data[di].sh_y),
+				     max_peak_distance);
+			}
+		} else {
+			conn_data[di].sh_x = default_fill_value;
+			conn_data[di].sh_y = default_fill_value;
+		}
+		free(av_in_panel_fs);
+		free(av_in_panel_ss);
+	}
+
+	return 0;
+}
+
+
+static int compute_shifts_for_empty_panels(struct rg_collection *quadrants,
+                                            struct rg_collection *connected,
+                                            struct connected_data *conn_data,
+                                            int min_num_peaks_per_panel)
+{
+
+	double *aver_x;
+	double *aver_y;
+	int *num_aver;
+	int di, i;
+
+	// shifts for empty
+	aver_x = malloc(quadrants->n_rigid_groups*sizeof(double));
+	if ( aver_x == NULL ) {
+		ERROR("Failed to allocate memory to compute shifts for "
+		      "empty panels.\n");
+		return 1;
+	}
+	aver_y = malloc(quadrants->n_rigid_groups*sizeof(double));
+	if ( aver_y == NULL ) {
+		ERROR("Failed to allocate memory to compute shifts for "
+		      "empty panels.\n");
+		free(aver_x);
+		return 1;
+	}
+	num_aver = malloc(quadrants->n_rigid_groups*sizeof(int));
+	if ( num_aver == NULL ) {
+		ERROR("Failed to allocate memory to compute shifts for "
+		      "empty panels.\n");
+		free(aver_x);
+		free(aver_y);
+		return 1;
+	}
+
+	for ( i=0; i<quadrants->n_rigid_groups; i++ ) {
+		aver_x[i] = 0;
+		aver_y[i] = 0;
+		num_aver[i] = 0;
+	}
+
+	for ( di=0; di<connected->n_rigid_groups; di++ ) {
+		if ( conn_data[di].n_peaks_in_conn>=min_num_peaks_per_panel ) {
+			aver_x[conn_data[di].num_quad] += conn_data[di].sh_x;
+			aver_y[conn_data[di].num_quad] += conn_data[di].sh_y;
+			num_aver[conn_data[di].num_quad]++;
+		}
+	}
+
+	for ( i=0; i<quadrants->n_rigid_groups; i++ ) {
+		if (num_aver[i]>0) {
+			aver_x[i] /= (double)num_aver[i];
+			aver_y[i] /= (double)num_aver[i];
+		}
+	}
+
+	for (di=0; di<connected->n_rigid_groups; di++) {
+		if ( conn_data[di].n_peaks_in_conn<min_num_peaks_per_panel ) {
+			if ( num_aver[conn_data[di].num_quad]>0 ) {
+				conn_data[di].sh_x = aver_x[conn_data[di].num_quad];
+				conn_data[di].sh_y = aver_y[conn_data[di].num_quad];
+				STATUS("Panel %s has not enough (%i) peaks. Using average "
+				       "shifts X,Y: %0.2f,%0.2f\n", conn_data[di].name,
+				       conn_data[di].n_peaks_in_conn,
+				       conn_data[di].sh_x, conn_data[di].sh_y);
+			} else {
+				STATUS("Panel %s has not enough (%i) peaks. Left unchanged\n",
+				       conn_data[di].name, conn_data[di].n_peaks_in_conn);
+			}
+		}
+	}
+
+	free(aver_x);
+	free(aver_y);
+	free(num_aver);
+
+	return 0;
+}
+
+
+static void correct_shifts(struct rg_collection *connected,
+                           struct connected_data *conn_data,
+                           double default_fill_value, double clen_to_use)
+{
+
+	int di;
+	int ip;
+
+	for ( di=0;di<connected->n_rigid_groups;di++ ) {
+		for (ip=0; ip<connected->rigid_groups[di]->n_panels; ip++) {
+
+			struct panel *p;
+
+			p = connected->rigid_groups[di]->panels[ip];
+
+			if ( conn_data[di].sh_x>default_fill_value+1.0 &&
+			     conn_data[di].sh_y > default_fill_value+1.0 ) {
+
+				p->cnx -= conn_data[di].sh_x;
+				p->cny -= conn_data[di].sh_y;
+
+			} else {
+				STATUS("For some reason pannel %s is empty!\n",
+				       p->name);
+			}
+		}
+	}
+}
+
+
+static int compute_angles_and_stretch
+              (struct rg_collection *connected,
+               struct connected_data *conn_data,
+               int *num_pix_displ,
+               double *slab_to_x,
+               double *slab_to_y,
+               double *displ_x,
+               double *displ_y,
+               int array_width,
+               int min_num_peaks_per_panel,
+               double dist_coeff_ang_str,
+               int num_peaks_per_pixel,
+               double man_stretching_coeff,
+               double *stretch_coeff)
+{
+	int di;
+	int num_coeff;
+	double stretch_cf;
+
+	struct connected_stretch_and_angles *csaa;
+
+	csaa = malloc(sizeof(struct connected_stretch_and_angles));
+	if ( csaa == NULL ) {
+		ERROR("Failed to allocate memory to compute angles and stretch.\n");
+		return 1;
+	}
+	csaa->stretch_coeff = malloc(connected->n_rigid_groups*sizeof(double));
+	if ( csaa->stretch_coeff == NULL ) {
+		ERROR("Failed to allocate memory to compute angles and stretch.\n");
+		free(csaa);
+		return 1;
+	}
+	csaa->num_angles = malloc(connected->n_rigid_groups*sizeof(unsigned int));
+	if ( csaa->num_angles == NULL ) {
+		ERROR("Failed to allocate memory to compute angles and stretch.\n");
+		free(csaa->stretch_coeff);
+		free(csaa);
+		return 1;
+	}
+
+	csaa->num_coeff=0;
+
+	for ( di=0; di<connected->n_rigid_groups; di++ ) {
+		if ( conn_data[di].n_peaks_in_conn<min_num_peaks_per_panel ) continue;
+
+		unsigned int max_num_ang = 0;
+
+		double* angles;
+		double* stretches;
+
+		int cmaxfs;
+		int cmaxss;
+
+		struct panel *p;
+		double minrad;
+		int num_ang = 0;
+		int ip0, ip1;
+
+		p = connected->rigid_groups[di]->panels[0];
+
+		cmaxfs = p->max_fs+1-p->min_fs;
+		cmaxss = p->max_ss+1-p->min_ss;
+
+		// TODO: MINRAD HERE IS NOT UNIVERSAL
+		minrad = dist_coeff_ang_str*sqrt(cmaxfs*cmaxss*
+		         connected->rigid_groups[di]->n_panels);
+
+		for ( ip0=0; ip0<connected->rigid_groups[di]->n_panels; ip0++ ) {
+
+			struct panel *p0 = connected->rigid_groups[di]->panels[ip0];
+
+			for ( ip1=0; ip1<connected->rigid_groups[di]->n_panels; ip1++ ) {
+
+				struct panel *p1 = connected->rigid_groups [di]->panels[ip1];
+
+				int ifs, iss;
+				int min_fs_tmp = p0->min_fs;
+				int max_fs_tmp = p0->max_fs;
+				int min_ss_tmp = p0->min_ss;
+				int max_ss_tmp = p0->max_ss;
+
+				for (ifs=min_fs_tmp; ifs<max_fs_tmp+1; ifs++) {
+
+					if ( ifs == max_fs_tmp ) {
+						min_fs_tmp = p1->min_fs;
+						max_fs_tmp = p1->max_fs;
+					}
+
+					for (iss=min_ss_tmp; iss<max_ss_tmp+1; iss++) {
+
+						if ( iss == max_ss_tmp ) {
+							min_ss_tmp = p1->min_ss;
+							max_ss_tmp = p1->max_ss;
+						}
+
+						double coX, coY, cdX, cdY;
+
+						if ( num_pix_displ[ifs+array_width*iss]>=
+						     conn_data[di].num_peaks_per_pixel ) {
+
+							int ifs1, iss1;
+							int max_fs1_tmp = p0->max_fs;
+							int max_ss1_tmp = p0->max_ss;
+
+							coX = slab_to_x[ifs+array_width*iss];
+							coY = slab_to_y[ifs+array_width*iss];
+							cdX = coX - displ_x[ifs+array_width*iss];
+							cdY = coY - displ_y[ifs+array_width*iss];
+
+							for (ifs1=ifs+1; ifs1<max_fs1_tmp+1; ifs1++) {
+
+								if ( ifs1 == max_fs1_tmp ) {
+									max_fs1_tmp = p1->max_fs;
+								}
+
+								for (iss1=iss+1; iss1<max_ss1_tmp+1; iss1++) {
+
+									if ( iss1 == max_ss1_tmp ) {
+										max_ss1_tmp = p1->max_ss;
+									}
+
+									if ( num_pix_displ[ifs1+array_width*iss1]>=
+									     conn_data[di].num_peaks_per_pixel ) {
+
+										double dist;
+										double coX1, coY1, cdX1, cdY1;
+										double len1, len2;
+
+										dist = modulus2d(ifs-ifs1,iss-iss1);
+										if ( dist < minrad ) continue;
+										coX1 = slab_to_x[ifs1+array_width*iss1];
+										coY1 = slab_to_y[ifs1+array_width*iss1];
+										cdX1 =
+										  coX1 - displ_x[ifs1+array_width*iss1];
+										cdY1 =
+										  coY1 - displ_y[ifs1+array_width*iss1];
+
+										len1 = modulus2d(coX1-coX, coY1-coY);
+										len2 = modulus2d(cdX1-cdX, cdY1-cdY);
+										if ( len1<FLT_EPSILON ||
+										     len2<FLT_EPSILON ) {
+											continue;
+										}
+
+										num_ang++;
+									}
+								}
+							}
+						}
+					}
+				}
+			}
+		}
+
+		max_num_ang = conn_data[di].n_peaks_in_conn*
+		              conn_data[di].n_peaks_in_conn;
+		max_num_ang = num_ang+1;
+
+		angles = malloc(max_num_ang*sizeof(double));
+		if ( angles == NULL ) {
+			ERROR("Error in allocating memory for angle optimization\n");
+			free(csaa->stretch_coeff);
+			free(csaa->num_angles);
+			free(csaa);
+			return 1;
+		}
+		stretches = malloc(max_num_ang*sizeof(double));
+		if ( stretches == NULL ) {
+			ERROR("Error in allocating memory for stretch optimization\n");
+			free(angles);
+			free(csaa->stretch_coeff);
+			free(csaa->num_angles);
+			free(csaa);
+			return 1;
+		}
+
+		num_ang = 0;
+
+		for ( ip0=0; ip0<connected->rigid_groups[di]->n_panels; ip0++ ) {
+
+			struct panel *p0 = connected->rigid_groups[di]->panels[ip0];
+
+			for ( ip1=0; ip1<connected->rigid_groups[di]->n_panels; ip1++ ) {
+
+				struct panel *p1 = connected->rigid_groups [di]->panels[ip1];
+
+				int ifs, iss;
+				int min_fs_tmp = p0->min_fs;
+				int max_fs_tmp = p0->max_fs;
+				int min_ss_tmp = p0->min_ss;
+				int max_ss_tmp = p0->max_ss;
+
+				for (ifs=min_fs_tmp; ifs<max_fs_tmp+1; ifs++) {
+
+					if ( ifs == max_fs_tmp ) {
+						min_fs_tmp = p1->min_fs;
+						max_fs_tmp = p1->max_fs;
+					}
+
+					for (iss=min_ss_tmp; iss<max_ss_tmp+1; iss++) {
+
+						if ( iss == max_ss_tmp ) {
+							min_ss_tmp = p1->min_ss;
+							max_ss_tmp = p1->max_ss;
+						}
+
+						double coX, coY, cdX, cdY;
+
+						if ( num_pix_displ[ifs+array_width*iss]>=
+						     conn_data[di].num_peaks_per_pixel ) {
+
+							int ifs1, iss1;
+							int max_fs1_tmp = p0->max_fs;
+							int max_ss1_tmp = p0->max_ss;
+
+							if ( num_ang>=max_num_ang ) break;
+
+							coX = slab_to_x[ifs+array_width*iss];
+							coY = slab_to_y[ifs+array_width*iss];
+							cdX = coX - displ_x[ifs+array_width*iss];
+							cdY = coY - displ_y[ifs+array_width*iss];
+
+							for (ifs1=ifs+1; ifs1<max_fs1_tmp+1; ifs1++) {
+
+								if ( ifs1 == max_fs1_tmp ) {
+									max_fs1_tmp = p1->max_fs;
+								}
+
+								for (iss1=iss+1; iss1<max_ss1_tmp+1; iss1++) {
+
+									if ( iss1 == max_ss1_tmp ) {
+										max_ss1_tmp = p1->max_ss;
+									}
+
+									if ( num_pix_displ[ifs1+array_width*iss1]>=
+									     conn_data[di].num_peaks_per_pixel ) {
+
+										double dist;
+										double coX1, coY1, cdX1, cdY1;
+										double len1, len2;
+										double scalM;
+										double multlen;
+
+										if ( num_ang>=max_num_ang ) break;
+										dist = modulus2d(ifs-ifs1,iss-iss1);
+										if (dist<minrad) continue;
+										coX1 = slab_to_x[ifs1+array_width*iss1];
+										coY1 = slab_to_y[ifs1+array_width*iss1];
+										cdX1 =
+										  coX1 - displ_x[ifs1+array_width*iss1];
+										cdY1 =
+										  coY1 - displ_y[ifs1+array_width*iss1];
+
+										len1 = modulus2d(coX1-coX, coY1-coY);
+										len2 = modulus2d(cdX1-cdX, cdY1-cdY);
+										scalM = (coX1-coX)*(cdX1-cdX)+
+										        (coY1-coY)*(cdY1-cdY)-
+										       FLT_EPSILON;
+										if ( len1<FLT_EPSILON ||
+										     len2<FLT_EPSILON ) {
+											continue;
+										}
+
+										multlen = len1*len2;
+										if ( fabs(scalM)>=multlen ) {
+											angles[num_ang] = 0.0;
+										} else {
+
+											angles[num_ang] = 1.0;
+
+											angles[num_ang] =
+											    acos(scalM/multlen);
+
+											if ((coY1-coY)*(cdX1-cdX)-
+											   (coX1-coX)*(cdY1-cdY) < 0) {
+												angles[num_ang] *= -1.;
+											}
+
+										}
+
+										stretches[num_ang] = len1/len2;
+
+										num_ang++;
+									}
+								}
+							}
+						}
+					}
+				}
+			}
+		}
+
+		if ( num_ang<1 ) continue;
+		conn_data[di].cang = -comp_median(angles,num_ang);
+		conn_data[di].cstr = comp_median(stretches,num_ang);
+
+		STATUS("Panel %s, num: %i, angle: %0.4f, stretch: %0.4f\n",
+		conn_data[di].name, num_ang, conn_data[di].cang,
+                conn_data[di].cstr);
+
+		csaa->stretch_coeff[csaa->num_coeff] = conn_data[di].cstr;
+		csaa->num_angles[csaa->num_coeff] = num_ang;
+		csaa->num_coeff++;
+
+		free(angles);
+		free(stretches);
+	}
+
+
+	num_coeff = csaa->num_coeff;
+
+	stretch_cf = 1;
+	if (num_coeff>0) {
+
+		int ipp;
+
+		for ( ipp=num_peaks_per_pixel; ipp>=0; ipp-- ) {
+
+			double total_num;
+			int di;
+
+			total_num = 0;
+			for ( di=0; di<num_coeff; di++ ) {
+				if ( conn_data[di].num_peaks_per_pixel>=ipp ) {
+					total_num += csaa->num_angles[di];
+				}
+			}
+			if ( total_num>1 ) {
+				total_num = 1./total_num;
+			} else {
+				continue;
+			}
+			stretch_cf = 0;
+			for ( di=0; di<num_coeff; di++ ) {
+				if ( conn_data[di].num_peaks_per_pixel>=ipp ) {
+					stretch_cf += total_num*csaa->stretch_coeff[di]*
+					              (double)csaa->num_angles[di];
+				}
+			}
+			break;
+		}
+	}
+
+	if ( stretch_cf<FLT_EPSILON ) {
+		stretch_cf = 1.0;
+	}
+
+	STATUS("The stretch coefficient for the patterns is %0.4f\n",
+	       stretch_cf);
+	if ( man_stretching_coeff>FLT_EPSILON ) {
+		stretch_cf = man_stretching_coeff;
+		STATUS("Using manually set stretch coefficient: %0.4f\n", stretch_cf);
+
+		for ( di=0; di<connected->n_rigid_groups; di++ ) {
+			conn_data[di].cstr = man_stretching_coeff;
+		}
+
+	}
+
+	free(csaa->stretch_coeff);
+	free(csaa->num_angles);
+	free(csaa);
+
+	*stretch_coeff = stretch_cf;
+
+	return 0;
+}
+
+
+static int save_data_to_hdf5(char * filename, struct detector* det,
+                             int max_fs, int max_ss, double default_fill_value,
+                             double *data)
+{
+	struct image *im;
+	int i;
+	int ret;
+
+	im = malloc(sizeof(struct image));
+	if ( im == NULL ) {
+		ERROR("Failed to allocate memory to save data.\n");
+		return 1;
+	}
+	im->data = malloc((max_fs+1)*(max_ss+1)*sizeof(float));
+	if ( im->data == NULL ) {
+		ERROR("Failed to allocate memory to save data.\n");
+		free(im);
+		return 1;
+	}
+	im->det = det;
+	im->width = max_fs+1;
+	im->height = max_ss+1;
+	im->beam = NULL;
+	im->spectrum = NULL;
+
+	for ( i=0; i<(max_fs+1)*(max_ss+1); i++) {
+		if ( data[i] == default_fill_value ) {
+			im->data[i] = 0.0;
+		} else {
+			im->data[i] = (float)data[i];
+		}
+	}
+
+	ret = hdf5_write_image(filename, im, NULL);
+
+	if ( ret != 0 ) {
+		free(im->data);
+		free(im);
+		return 1;
+	}
+
+	free(im->data);
+	free(im);
+
+	return 0;
+}
+
+
+int optimize_geometry(char *infile, char *outfile, char *geometry_filename,
+                      struct detector *det, struct rg_collection* quadrants,
+                      struct rg_collection* connected,
+                      int min_num_peaks_per_pixel, int min_num_peaks_per_panel,
+                      int only_best_distance, int nostretch,
+                      int individual_coffset, double max_peak_dist,
+                      const char *command_line)
+{
+	int num_pix_in_slab;
+	int max_fs = 0;
+	int max_ss = 0;
+	int array_width = 0;
+	int pi, di, ip, pti;
+	int ret1, ret2, ret3;
+	int ret4, ret5, ret6;
+	int ret;
+	int write_ret;
+
+	double res_sum;
+	double istep;
+	double clen_to_use;
+	double man_stretching_coeff = 0.0;
+	double avc[6] = {0.,0.,0.,0.,0.,0.};
+	double default_fill_value = -10000.0;
+	double dist_coeff_ang_str = 0.2; // for angles and stretch calculation use
+                                     // only pixels which are distco*size_panel
+                                     // away
+
+	int *num_pix_displ;
+	double *displ_x;
+	double *displ_y;
+	double *displ_abs;
+	double totalError;
+
+	double* slab_to_x;
+	double* slab_to_y;
+	double* recomputed_slab_to_x;
+	double* recomputed_slab_to_y;
+	double stretch_coeff = 1;
+	struct single_pix_displ *all_pix_displ;
+	struct single_pix_displ **curr_pix_displ;
+	struct connected_data *conn_data = NULL;
+	struct pattern_list *pattern_list;
+
+	if ( nostretch ) man_stretching_coeff = 1.0;
+
+	STATUS("Maximum distance between peaks: %0.1f\n", max_peak_dist);
+
+	STATUS("Minimum number of measurements for pixel to be included in the "
+	       "refinement: %i\n",
+	       min_num_peaks_per_pixel);
+	STATUS("Minimum number of measurements for panel for accurate estimation of"
+	       " position/orientation: %i\n", min_num_peaks_per_panel);
+
+	pattern_list = read_patterns_from_steam_file(infile, det);
+	if ( pattern_list->n_patterns < 1 ) {
+		ERROR("Error reading stream file\n");
+		return 1;
+	}
+
+	compute_avg_cell_parameters(pattern_list, avc);
+
+	res_sum = 0;
+	for ( pi=0; pi<det->n_panels; pi++ ) {
+
+		if ( det->panels[pi].max_fs > max_fs ) {
+			max_fs = det->panels[pi].max_fs;
+		}
+		if ( det->panels[pi].max_ss > max_ss ) {
+			max_ss = det->panels[pi].max_ss;
+		}
+		res_sum += det->panels[pi].res;
+	}
+
+	istep = res_sum/det->n_panels;
+
+	array_width = max_fs+1;
+
+	clen_to_use = compute_clen_to_use(pattern_list, istep, avc,
+	                                  max_peak_dist,
+	                                  only_best_distance);
+
+	if ( clen_to_use == -1.0 ) return 1;
+
+	num_pix_in_slab = (max_fs+1)*(max_ss+1);
+	displ_x = calloc(num_pix_in_slab,sizeof(double));
+	if ( displ_x == NULL ) {
+		ERROR("Error allocating memory for pixel properties.\n");
+		return 1;
+	}
+	displ_y = calloc(num_pix_in_slab,sizeof(double));
+	if ( displ_y == NULL ) {
+		ERROR("Error allocating memory for pixel properties.\n");
+		free(displ_x);
+		return 1;
+	}
+	displ_abs = calloc(num_pix_in_slab,sizeof(double));
+	if ( displ_abs == NULL ) {
+		ERROR("Error allocating memory for pixel properties.\n");
+		free(displ_x);
+		free(displ_y);
+		return 1;
+	}
+
+	slab_to_x = malloc(num_pix_in_slab*sizeof(double));
+	slab_to_y = malloc(num_pix_in_slab*sizeof(double));
+	if ( slab_to_x == NULL ) {
+		ERROR("Failed to allocate memory for pixel maps.\n");
+		free(displ_x);
+		free(displ_y);
+		free(displ_abs);
+		return 1;
+	}
+	slab_to_y = malloc(num_pix_in_slab*sizeof(double));
+	if ( slab_to_y == NULL ) {
+		ERROR("Failed to allocate memory for pixel maps.\n");
+		free(displ_x);
+		free(displ_y);
+		free(displ_abs);
+		free(slab_to_x);
+		return 1;
+	}
+
+	fill_coordinate_matrices(det, array_width, slab_to_x, slab_to_y);
+
+	all_pix_displ = calloc(num_pix_in_slab, sizeof(struct single_pix_displ));
+	if ( all_pix_displ == NULL ) {
+		ERROR("Error allocating memory for connected structure data.\n");
+		free(displ_x);
+		free(displ_y);
+		free(displ_abs);
+		free(slab_to_x);
+		free(slab_to_y);
+		return 1;
+	}
+	curr_pix_displ = calloc(num_pix_in_slab, sizeof(struct single_pix_displ*));
+	if ( curr_pix_displ == NULL ) {
+		ERROR("Error allocating memory for connected structure data.\n");
+		free(displ_x);
+		free(displ_y);
+		free(displ_abs);
+		free(slab_to_x);
+		free(slab_to_y);
+		free(all_pix_displ);
+		return 1;
+	}
+	num_pix_displ = calloc(num_pix_in_slab, sizeof(int));
+	if ( num_pix_displ == NULL ) {
+		ERROR("Error allocating memory for connected structure data.\n");
+		free(displ_x);
+		free(displ_y);
+		free(displ_abs);
+		free(slab_to_x);
+		free(slab_to_y);
+		free(all_pix_displ);
+		free(curr_pix_displ);
+		return 1;
+	}
+
+	conn_data = malloc(connected->n_rigid_groups*sizeof(struct connected_data));
+	if ( conn_data == NULL ) {
+		ERROR("Error allocating memory for connected structure data.\n");
+		free(displ_x);
+		free(displ_y);
+		free(displ_abs);
+		free(slab_to_x);
+		free(slab_to_y);
+		free(all_pix_displ);
+		free(curr_pix_displ);
+		free(num_pix_displ);
+		return 1;
+	}
+
+	STATUS("Computing pixel statistics\n");
+	ret = compute_pixel_statistics(pattern_list, det, connected, quadrants,
+	                               num_pix_in_slab, max_peak_dist,
+	                               array_width, default_fill_value,
+	                               min_num_peaks_per_pixel,
+	                               min_num_peaks_per_panel, only_best_distance,
+	                               clen_to_use, slab_to_x, slab_to_y, conn_data,
+	                               displ_x, displ_y, displ_abs, all_pix_displ,
+	                               curr_pix_displ,
+	                               num_pix_displ);
+	if ( ret != 0 ) {
+		free(displ_x);
+		free(displ_y);
+		free(displ_abs);
+		free(slab_to_x);
+		free(slab_to_y);
+		free_all_curr_pix_displ(all_pix_displ, curr_pix_displ, num_pix_in_slab);
+		free(num_pix_displ);
+		free(conn_data);
+		return 1;
+	}
+
+	free_all_curr_pix_displ(all_pix_displ, curr_pix_displ, num_pix_in_slab);
+	for ( pti=0; pti<pattern_list->n_patterns; pti++ ) {
+		int nuc;
+
+		image_feature_list_free(pattern_list->patterns[pti]->im_list);
+		reflist_free(pattern_list->patterns[pti]->ref_list);
+		for ( nuc=0; nuc<pattern_list->patterns[pti]->n_unit_cells; nuc++) {
+			cell_free(pattern_list->patterns[pti]->unit_cells[nuc]);
+		}
+		free(pattern_list->patterns[pti]->filename);
+		free(pattern_list->patterns[pti]);
+	}
+	free(pattern_list);
+
+	STATUS("Saving displacements before corrections\n");
+	ret1 = save_data_to_hdf5("disp_x_before.h5", det, max_fs, max_ss,
+	                         default_fill_value, displ_x);
+	ret2 = save_data_to_hdf5("disp_y_before.h5", det, max_fs, max_ss,
+		                 default_fill_value, displ_y);
+	ret3 = save_data_to_hdf5("disp_abs_before.h5", det, max_fs, max_ss,
+                                default_fill_value, displ_abs);
+	if ( ret1!=0 || ret2!=0 || ret3!=0 ) {
+		ERROR("Error while writing data to file.\n");
+		free(conn_data);
+		free(displ_x);
+		free(displ_y);
+		free(displ_abs);
+		free(num_pix_displ);
+		free(slab_to_x);
+		free(slab_to_y);
+		return 1;
+	}
+
+	STATUS("Computing initial error.\n");
+	totalError = compute_error(connected, array_width, conn_data,
+	                           num_pix_displ, displ_abs);
+
+	STATUS("The total initial error <delta^2> = %0.4f\n", totalError);
+	STATUS("Now calculating corrections\n");
+
+	for ( di=0;di<connected->n_rigid_groups;di++ ) {
+
+		conn_data[di].n_peaks_in_conn = 0;
+
+		for (ip=0; ip<connected->rigid_groups[di]->n_panels; ip++) {
+
+			struct panel *p;
+			int ifs, iss;
+
+			p = connected->rigid_groups[di]->panels[ip];
+			for (ifs=p->min_fs; ifs<p->max_fs+1; ifs++) {
+				for (iss=p->min_ss; iss<p->max_ss+1; iss++) {
+					if ( num_pix_displ[ifs+array_width*iss]>=
+							conn_data[di].num_peaks_per_pixel ) {
+							conn_data[di].n_peaks_in_conn++;
+					}
+				}
+			}
+		}
+	}
+
+	STATUS("Calculating angles and elongations (usually long)\n");
+
+	ret = compute_angles_and_stretch(connected, conn_data,
+	                             num_pix_displ,
+	                             slab_to_x, slab_to_y,
+	                             displ_x, displ_y,
+	                             array_width,
+	                             min_num_peaks_per_panel,
+	                             dist_coeff_ang_str,
+	                             min_num_peaks_per_pixel,
+	                             man_stretching_coeff, &stretch_coeff);
+
+	if ( ret != 0 ) {
+		free(conn_data);
+		free(displ_x);
+		free(displ_y);
+		free(displ_abs);
+		free(num_pix_displ);
+		free(slab_to_x);
+		free(slab_to_y);
+		return 1;
+	}
+	ret = correct_empty_panels(quadrants, connected, min_num_peaks_per_panel,
+	                           conn_data);
+
+	if ( ret != 0 ) {
+		free(conn_data);
+		free(displ_x);
+		free(displ_y);
+		free(displ_abs);
+		free(num_pix_displ);
+		free(slab_to_x);
+		free(slab_to_y);
+		return 1;
+	}
+
+	correct_angle_and_stretch(connected, det, conn_data, clen_to_use,
+	                          stretch_coeff, individual_coffset);
+
+	shift_panels(connected, conn_data);
+
+	recomputed_slab_to_x = malloc(num_pix_in_slab*sizeof(double));
+	if ( recomputed_slab_to_x == NULL ) {
+		ERROR("Failed to allocate memory for pixel maps.\n");
+		free(displ_x);
+		free(displ_y);
+		free(displ_abs);
+		free(slab_to_x);
+		free(slab_to_y);
+		free(num_pix_displ);
+		free(conn_data);
+		return 1;
+	}
+	recomputed_slab_to_y = malloc(num_pix_in_slab*sizeof(double));
+	if ( recomputed_slab_to_y == NULL ) {
+		ERROR("Failed to allocate memory for pixel maps.\n");
+		free(displ_x);
+		free(displ_y);
+		free(displ_abs);
+		free(slab_to_x);
+		free(slab_to_y);
+		free(num_pix_displ);
+		free(conn_data);
+		free(recomputed_slab_to_x);
+		return 1;
+	}
+
+	fill_coordinate_matrices(det, array_width, recomputed_slab_to_x,
+	                         recomputed_slab_to_y);
+
+	recompute_differences(connected, slab_to_x, slab_to_y, recomputed_slab_to_x,
+	                      recomputed_slab_to_y, conn_data,
+	                      stretch_coeff, array_width, displ_x, displ_y,
+	                      num_pix_displ);
+
+	ret = compute_shifts(connected, conn_data, num_pix_displ, array_width,
+	                     min_num_peaks_per_panel, default_fill_value,
+	                     max_peak_dist, displ_x, displ_y );
+
+	if ( ret != 0 ) return 1;
+
+	compute_shifts_for_empty_panels(quadrants, connected, conn_data,
+	                                min_num_peaks_per_panel);
+
+	for ( di=0;di<connected->n_rigid_groups;di++ ) {
+		for (ip=0; ip<connected->rigid_groups[di]->n_panels; ip++) {
+
+			struct panel *p;
+			int ifs, iss;
+
+			if (conn_data[di].sh_x < default_fill_value+1) continue;
+
+			p = connected->rigid_groups[di]->panels[ip];
+
+			for (ifs=p->min_fs; ifs<p->max_fs+1; ifs++) {
+				for (iss=p->min_ss; iss<p->max_ss+1; iss++) {
+					if ( num_pix_displ[ifs+array_width*iss]>=
+					     conn_data[di].num_peaks_per_pixel ) {
+						displ_x[ifs+array_width*iss] -= conn_data[di].sh_x;
+						displ_y[ifs+array_width*iss] -= conn_data[di].sh_y;
+						displ_abs[ifs+array_width*iss] = modulus2d(
+						                           displ_x[ifs+array_width*iss],
+						                           displ_y[ifs+array_width*iss]
+						                           );
+					} else {
+						displ_abs[ifs+array_width*iss] = default_fill_value;
+					}
+				}
+			}
+		}
+	}
+
+	correct_shifts(connected, conn_data, default_fill_value, clen_to_use);
+
+	STATUS("Saving displacements after corrections\n");
+	ret4 = save_data_to_hdf5("disp_x_after.h5", det,  max_fs, max_ss,
+	                         default_fill_value, displ_x);
+	ret5 = save_data_to_hdf5("disp_y_after.h5", det,  max_fs, max_ss,
+	                         default_fill_value, displ_y);
+	ret6 = save_data_to_hdf5("disp_abs_after.h5", det,  max_fs, max_ss,
+	                         default_fill_value, displ_abs);
+	if ( ret4!=0 || ret5!=0 || ret6!=0 ) {
+		ERROR("Error while writing data to file.\n");
+		free(conn_data);
+		free(displ_x);
+		free(displ_y);
+		free(displ_abs);
+		free(num_pix_displ);
+		free(slab_to_x);
+		free(slab_to_y);
+		free(recomputed_slab_to_x);
+		free(recomputed_slab_to_y);
+		return 1;
+	}
+
+	STATUS("Computing final error.\n");
+	totalError = compute_error(connected, array_width, conn_data, num_pix_displ,
+	                           displ_abs);
+
+	STATUS("The total final error <delta^2> = %0.4f\n",totalError);
+
+	write_ret = write_detector_geometry_2(geometry_filename, outfile, det,
+	                                      command_line, 1);
+	if ( write_ret != 0 ) {
+		ERROR("Error in writing output geometry file.\n");
+		return 1;
+	}
+	STATUS("All done!\n");
+
+	free(conn_data);
+	free(displ_x);
+	free(displ_y);
+	free(displ_abs);
+	free(num_pix_displ);
+	free(slab_to_x);
+	free(slab_to_y);
+	free(recomputed_slab_to_x);
+	free(recomputed_slab_to_y);
+	return 0;
+}
+
+int main(int argc, char *argv[])
+{
+	int c, i;
+	int ret_val;
+	char buffer[256];
+	char command_line[1024];
+	char *outfile = NULL;
+	char *infile = NULL;
+	char *geometry_filename = NULL;
+	char *quadrant_coll_name = NULL;
+	char *connected_coll_name = NULL;
+	int min_num_peaks_per_pixel = 3;
+	int min_num_peaks_per_panel = 100;
+	int only_best_distance = 0;
+	int nostretch = 0;
+	int individual_coffset = 0;
+	double max_peak_dist = 4.0;
+
+	struct detector *det = NULL;
+	struct rg_collection *quadrants;
+	struct rg_collection *connected;
+	struct beam_params beam;
+
+	const struct option longopts[] = {
+
+        /* Options with long and short versions */
+        {"help",                   0, NULL,               'h'},
+        {"version",                0, NULL,               10 },
+        {"input",                  1, NULL,               'i'},
+        {"output",                 1, NULL,               'o'},
+        {"geometry",               1, NULL,               'g'},
+        {"quadrants",              1, NULL,               'q'},
+        {"connected",              1, NULL,               'c'},
+        {"min-num-peaks-per-pixel",1, NULL,               'x'},
+        {"min-num-peaks-per-panel",1, NULL,               'p'},
+        {"most-few-clen",          0, NULL,               'l'},
+        {"max-peak-dist",          1, NULL,               'm'},
+        {"individual-dist-offset", 0, NULL,               's'},
+
+
+        /* Long-only options with no arguments */
+        {"no-stretch",         0, &nostretch,       1},
+
+
+		{0, 0, NULL, 0}
+	};
+
+	/* Short options */
+	while ((c = getopt_long(argc, argv, "ho:i:g:q:c:o:x:p:lsm:",
+	                       longopts, NULL)) != -1) {
+
+		switch (c) {
+
+			case 'h' :
+			show_help(argv[0]);
+			return 0;
+
+			case 10 :
+			printf("CrystFEL: " CRYSTFEL_VERSIONSTRING "\n");
+			printf(CRYSTFEL_BOILERPLATE"\n");
+			return 0;
+
+			case 'o' :
+			outfile = strdup(optarg);
+			break;
+
+			case 'i' :
+			infile = strdup(optarg);
+			break;
+
+			case 'g' :
+			geometry_filename = strdup(optarg);
+			det = get_detector_geometry(geometry_filename, &beam);
+			if ( det == NULL ) {
+				ERROR("Failed to read detector geometry from "
+				      "'%s'\n", optarg);
+				return 1;
+			}
+			break;
+
+			case 'q' :
+			quadrant_coll_name = strdup(optarg);
+			break;
+
+			case 'c' :
+			connected_coll_name = strdup(optarg);
+			break;
+
+			case 'x' :
+			min_num_peaks_per_pixel = atoi(optarg);
+			break;
+
+			case 'p' :
+			min_num_peaks_per_panel = atoi(optarg);
+			break;
+
+			case 'l' :
+			only_best_distance = 1;
+			break;
+
+			case 'm' :
+			max_peak_dist = strtof(optarg, NULL);
+			break;
+
+			case 's' :
+			individual_coffset = 1;
+			break;
+		}
+	}
+
+	if ( geometry_filename == NULL ) {
+		ERROR("You must provide a geometry to optimize.\n");
+		return 1;
+	}
+
+	if ( infile == NULL ) {
+		ERROR("You must provide an input stream file.\n");
+		return 1;
+	}
+
+	if ( outfile == NULL ) {
+		ERROR("You must provide an output filename.\n");
+		return 1;
+	}
+
+	if ( quadrant_coll_name == NULL ) {
+		ERROR("You must provide a rigid group collection for quadrants.\n");
+		return 1;
+	}
+
+	if ( connected_coll_name == NULL ) {
+		ERROR("You must provide a rigid group collection for connected "
+		      "panels.\n");
+		return 1;
+	}
+
+	strcpy(command_line, "\0");
+
+	quadrants = find_rigid_group_collection_by_name(det, quadrant_coll_name);
+	if ( quadrants == NULL ) {
+		ERROR("Cannot find rigid group collection for quadrants: %s\n",
+		      quadrant_coll_name);
+		return 1;
+	}
+
+	connected = find_rigid_group_collection_by_name(det, connected_coll_name);
+	if ( connected == NULL ) {
+		ERROR("Cannot find rigid group collection for connected asics: %s\n",
+		      connected_coll_name);
+		return 1;
+	}
+
+	for ( i=0; i<argc; i++ ) {
+		if ( i > 0 ) strcat(command_line, " ");
+		strcpy(buffer, argv[i]);
+		strcat(command_line, buffer);
+	}
+
+	ret_val = optimize_geometry(infile, outfile, geometry_filename, det,
+	                        quadrants, connected, min_num_peaks_per_pixel,
+	                        min_num_peaks_per_panel, only_best_distance,
+	                        nostretch, individual_coffset,
+	                        max_peak_dist, command_line);
+
+	return ret_val;
+}