diff options
author | Valerio Mariani <valerio.mariani@desy.de> | 2017-03-10 14:29:55 +0100 |
---|---|---|
committer | Valerio Mariani <valerio.mariani@desy.de> | 2017-03-10 14:30:07 +0100 |
commit | 772ed44b99c2429ac9bcaab327583e92464e2fd5 (patch) | |
tree | 6d59b88a462bdf4c39d40bf1803739b582e5c645 | |
parent | b4df92e4983487fe4b9dc22fa893e9785cdebfe9 (diff) |
Peakfinder8 in CrystFEL. Same results as Anton's Cheetah implementation
-rw-r--r-- | libcrystfel/Makefile.am | 6 | ||||
-rw-r--r-- | libcrystfel/src/peakfinder8.c | 1051 | ||||
-rw-r--r-- | libcrystfel/src/peakfinder8.h | 42 | ||||
-rw-r--r-- | libcrystfel/src/peaks.c | 28 | ||||
-rw-r--r-- | libcrystfel/src/peaks.h | 14 | ||||
-rw-r--r-- | src/indexamajig.c | 87 | ||||
-rw-r--r-- | src/process_image.c | 23 | ||||
-rw-r--r-- | src/process_image.h | 12 |
8 files changed, 1234 insertions, 29 deletions
diff --git a/libcrystfel/Makefile.am b/libcrystfel/Makefile.am index d7142f6a..8af82552 100644 --- a/libcrystfel/Makefile.am +++ b/libcrystfel/Makefile.am @@ -10,7 +10,8 @@ libcrystfel_la_SOURCES = src/reflist.c src/utils.c src/cell.c src/detector.c \ src/render.c src/index.c src/dirax.c src/mosflm.c \ src/cell-utils.c src/integer_matrix.c src/crystal.c \ src/xds.c src/integration.c src/predict-refine.c \ - src/histogram.c src/events.c src/felix.c + src/histogram.c src/events.c src/felix.c \ + src/peakfinder8.c if HAVE_FFTW libcrystfel_la_SOURCES += src/asdf.c @@ -30,7 +31,8 @@ libcrystfel_la_include_HEADERS = ${top_srcdir}/version.h \ src/integer_matrix.h src/crystal.h \ src/xds.h src/predict-refine.h \ src/integration.h src/histogram.h \ - src/events.h src/asdf.h src/felix.h + src/events.h src/asdf.h src/felix.h \ + src/peakfinder8.h AM_CPPFLAGS = -DDATADIR=\""$(datadir)"\" -I$(top_builddir)/lib -Wall AM_CPPFLAGS += -I$(top_srcdir)/lib @LIBCRYSTFEL_CFLAGS@ diff --git a/libcrystfel/src/peakfinder8.c b/libcrystfel/src/peakfinder8.c new file mode 100644 index 00000000..2af8608a --- /dev/null +++ b/libcrystfel/src/peakfinder8.c @@ -0,0 +1,1051 @@ +/* + * peakfinder8.c + * + * The processing pipeline for one image + * + * Copyright © 2012-2017 Deutsches Elektronen-Synchrotron DESY, + * a research centre of the Helmholtz Association. + * + * Authors: + * 2017 Valerio Mariani <valerio.mariani@desy.de> + * 2017 Anton Barty <anton.barty@desy.de> + * 2017 Oleksandr Yefanov <oleksandr.yefanov@desy.de> + * + * 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 "peakfinder8.h" + + +struct radius_maps +{ + float **r_maps; + int n_rmaps; +}; + + +struct peakfinder_mask +{ + char **masks; + int n_masks; +}; + + +struct radial_stats +{ + float *roffset; + float *rthreshold; + int n_rad_bins; +}; + + +struct peakfinder_panel_data +{ + float ** panel_data; + int *panel_h; + int *panel_w; + int num_panels; +}; + + +struct peakfinder_peak_data +{ + int num_found_peaks; + int *npix; + float *com_fs; + float *com_ss; + float *tot_i; + float *max_i; + float *sigma; + float *snr; +}; + + +static double compute_r_sigma(float *rsigma, int *rcount, float* roffset, + int i) +{ + return sqrt(rsigma[i] / rcount[i] - + ((roffset[i] / rcount[i]) * + (roffset[i] / rcount[i]))); +} + + +static void update_radial_stats (float *roffset, float *rsigma, int *rcount, + float data, int curr_radius) +{ + roffset[curr_radius] += data; + rsigma[curr_radius] += (data * data); + rcount[curr_radius] += 1; +} + + +static float get_radius(struct panel p, float fs, float ss) +{ + float x, y; + + /* Calculate 3D position of given position, in m */ + x = (p.cnx + fs * p.fsx + ss * p.ssx); + y = (p.cny + fs * p.fsy + ss * p.ssy); + + return sqrt(x * x + y * y); +} + + +static struct radius_maps* compute_radius_maps(struct detector *det) +{ + int i, u, iss, ifs; + struct panel p; + struct radius_maps *rm = NULL; + + rm = malloc(sizeof(struct radius_maps)); + if ( rm == NULL ) { + return NULL; + } + + rm->r_maps = malloc(det->n_panels*sizeof(float*)); + if ( rm->r_maps == NULL ) { + free(rm); + return NULL; + } + + rm->n_rmaps = det->n_panels; + + for( i=0 ; i<det->n_panels ; i++ ) { + + p = det->panels[i]; + rm->r_maps[i] = malloc(p.h*p.w*sizeof(float)); + + if ( rm->r_maps[i] == NULL ) { + for ( u = 0; u<i; u++ ) { + free(rm->r_maps[u]); + } + free(rm); + return NULL; + } + + for ( iss=0 ; iss<p.h ; iss++ ) { + for ( ifs=0; ifs<p.w; ifs++ ) { + + int rmi; + + rmi = ifs + p.w * iss; + + rm->r_maps[i][rmi] = get_radius(p, ifs, iss); + } + } + + } + + return rm; +} + + +static void free_radius_maps(struct radius_maps *r_maps) +{ + int i; + + for ( i=0 ; i<r_maps->n_rmaps ; i++ ) { + free(r_maps->r_maps[i]); + } + free(r_maps->r_maps); + free(r_maps); +} + + +static struct peakfinder_mask *create_peakfinder_mask(struct image *img, + struct radius_maps *rmps, + int min_res, + int max_res) +{ + int i; + struct peakfinder_mask *msk; + + msk = malloc(sizeof(struct peakfinder_mask)); + msk->masks = malloc(img->det->n_panels*sizeof(char*)); + msk->n_masks = img->det->n_panels; + for ( i=0; i<img->det->n_panels; i++) { + + struct panel p; + int iss, ifs; + + p = img->det->panels[i]; + + msk->masks[i] = calloc(p.w*p.h,sizeof(char)); + + for ( iss=0 ; iss<p.h ; iss++ ) { + for ( ifs=0 ; ifs<p.w ; ifs++ ) { + + int idx; + + idx = ifs + iss*p.w; + + if ( rmps->r_maps[i][idx] < max_res + && rmps->r_maps[i][idx] > min_res ) { + + if (! ( ( img->bad != NULL ) + && ( img->bad[i] != NULL ) + && ( img->bad[i][idx] != 0 ) ) ) { + msk->masks[i][idx] = 1; + } + + + } + + } + } + } + return msk; +} + + +static void free_peakfinder_mask(struct peakfinder_mask * pfmask) +{ + int i; + + for ( i=0 ; i<pfmask->n_masks ; i++ ) { + free(pfmask->masks[i]); + } + free(pfmask->masks); + free(pfmask); +} + + +static int compute_num_radial_bins( int num_panels, int *w, int *h, + float **r_maps ) +{ + int m; + + float max_r; + int max_r_int; + + max_r = -1e9; + for ( m=0 ; m<num_panels ; m++ ) { + + int i; + + for ( i=0 ; i<w[m]*h[m] ; i++ ) { + if ( r_maps[m][i] > max_r ) { + max_r = r_maps[m][i]; + } + } + } + + max_r_int = (int)ceil(max_r) + 1; + + return max_r_int; +} + + +static struct peakfinder_panel_data* allocate_panel_data(struct image *img) +{ + + struct peakfinder_panel_data *pfdata; + + + pfdata = malloc(sizeof(struct peakfinder_panel_data)); + if ( pfdata == NULL ) { + return NULL; + } + + pfdata->panel_h = malloc(img->det->n_panels*sizeof(int)); + if ( pfdata->panel_h == NULL ) { + free(pfdata); + return NULL; + } + + pfdata->panel_w = malloc(img->det->n_panels*sizeof(int)); + if ( pfdata->panel_w == NULL ) { + free(pfdata); + free(pfdata->panel_w); + return NULL; + } + + pfdata->panel_data = malloc(img->det->n_panels*sizeof(float*)); + if ( pfdata->panel_data == NULL ) { + free(pfdata); + free(pfdata->panel_w); + free(pfdata->panel_h); + return NULL; + } + + pfdata->num_panels = img->det->n_panels; + + return pfdata; +} + + +static void free_panel_data(struct peakfinder_panel_data *pfdata) +{ + free(pfdata->panel_data); + free(pfdata->panel_w); + free(pfdata->panel_h); + free(pfdata); +} + + +static struct radial_stats* allocate_radial_stats(int num_rad_bins) +{ + struct radial_stats* rstats; + + rstats = malloc(sizeof(struct radial_stats)); + + rstats->roffset = malloc(num_rad_bins*sizeof(float)); + if ( rstats->roffset == NULL ) { + return NULL; + } + + rstats->rthreshold = malloc(num_rad_bins*sizeof(float)); + if ( rstats->rthreshold == NULL ) { + free(rstats->roffset); + return NULL; + } + + rstats->n_rad_bins = num_rad_bins; + + return rstats; +} + + +static void free_radial_stats(struct radial_stats *rstats) +{ + free(rstats->roffset); + free(rstats->rthreshold); + free(rstats); +} + + +static int compute_radial_stats(float ** panel_data, + int num_panels, + int *w, + int *h, + float **r_maps, + char **masks, + float *rthreshold, + float *roffset, + int num_rad_bins, + float min_snr, + float acd_threshold, + int iterations) +{ + + int i, ri, pi; + int it_counter; + int curr_r; + float data; + float this_offset, this_sigma; + float *rsigma; + int *rcount; + + + for ( i=0 ; i<num_rad_bins ; i++) { + rthreshold[i] = 1e9; + } + + + rsigma = malloc(num_rad_bins*sizeof(float)); + if ( rsigma == NULL ) { + return 1; + } + + rcount = malloc(num_rad_bins*sizeof(int)); + if ( rcount == NULL ) { + free(rsigma); + return 1; + } + + for ( it_counter=0 ; it_counter<iterations ; it_counter++ ) { + + for ( i=0; i<num_rad_bins; i++) { + roffset[i] = 0; + rsigma[i] = 0; + rcount[i] = 0; + } + + for ( pi=0 ; pi<num_panels ; pi++ ) { + + int i; + + for ( i = 0; i < w[pi]*h[pi] ; i++) { + if ( masks[pi][i] != 0 ) { + + curr_r = (int)rint(r_maps[pi][i]); + + data = panel_data[pi][i]; + + + if ( data < rthreshold[curr_r ] ) { + + update_radial_stats(roffset, + rsigma, + rcount, + data, + curr_r); + } + } + } + } + + for ( ri=0 ; ri<num_rad_bins ; ri++ ) { + if ( rcount[ri] == 0 ) { + roffset[ri] = 0; + rsigma[ri] = 0; + rthreshold[ri] = 1e9; + } else { + this_offset = roffset[ri]/rcount[ri]; + + this_sigma = compute_r_sigma(rsigma, + rcount, + roffset, + ri); + + roffset[ri] = this_offset; + rsigma[ri] = this_sigma; + + rthreshold[ri] = roffset[ri] + + min_snr*rsigma[ri]; + + if ( rthreshold[ri] < acd_threshold ) { + rthreshold[ri] = acd_threshold; + } + } + } + } + + free(rsigma); + free(rcount); + + return 0; +} + + +struct peakfinder_peak_data *allocate_peak_data(int max_num_peaks) +{ + struct peakfinder_peak_data *pkdata; + + pkdata = malloc(sizeof(struct peakfinder_peak_data)); + if ( pkdata == NULL ) { + return NULL; + } + + pkdata->npix = malloc(max_num_peaks*sizeof(int)); + if ( pkdata->npix == NULL ) { + free(pkdata); + free(pkdata->npix); + return NULL; + } + + pkdata->com_fs = malloc(max_num_peaks*sizeof(float)); + if ( pkdata->com_fs == NULL ) { + free(pkdata->npix); + free(pkdata); + return NULL; + } + + pkdata->com_ss = malloc(max_num_peaks*sizeof(float)); + if ( pkdata->com_ss == NULL ) { + free(pkdata->npix); + free(pkdata->com_fs); + free(pkdata); + return NULL; + } + + pkdata->tot_i = malloc(max_num_peaks*sizeof(float)); + if ( pkdata->tot_i == NULL ) { + free(pkdata->npix); + free(pkdata->com_fs); + free(pkdata->com_ss); + free(pkdata); + return NULL; + } + + pkdata->max_i = malloc(max_num_peaks*sizeof(float)); + if ( pkdata->max_i == NULL ) { + free(pkdata->npix); + free(pkdata->com_fs); + free(pkdata->com_ss); + free(pkdata->tot_i); + free(pkdata); + return NULL; + } + + pkdata->sigma = malloc(max_num_peaks*sizeof(float)); + if ( pkdata->sigma == NULL ) { + free(pkdata->npix); + free(pkdata->com_fs); + free(pkdata->com_ss); + free(pkdata->tot_i); + free(pkdata->max_i); + free(pkdata); + return NULL; + } + + pkdata->snr = malloc(max_num_peaks*sizeof(float)); + if ( pkdata->snr == NULL ) { + free(pkdata->npix); + free(pkdata->com_fs); + free(pkdata->com_ss); + free(pkdata->tot_i); + free(pkdata->max_i); + free(pkdata->sigma); + free(pkdata); + return NULL; + } + + return pkdata; +} + + +static void free_peak_data(struct peakfinder_peak_data *pkdata) { + free(pkdata->npix); + free(pkdata->com_fs); + free(pkdata->com_ss); + free(pkdata->tot_i); + free(pkdata->max_i); + free(pkdata->sigma); + free(pkdata->snr); + free(pkdata); +} + + +static void peak_search(int p, int *inss, int *infs, int h, int w, + int multip_w, float *copy, char *mask, float *r_map, + float *rthreshold, float *roffset, + char *pix_in_peak_map, int *peak_pixels, + int *num_pix_in_peak, float *sum_com_fs, + float *sum_com_ss, float *sum_i, int max_pix_count) +{ + + int k, pi; + int curr_radius; + float curr_threshold; + int curr_fs; + int curr_ss; + float curr_i; + + int search_fs[9] = { 0, -1, 0, 1, -1, 1, -1, 0, 1 }; + int search_ss[9] = { 0, -1, -1, -1, 0, 0, 1, 1, 1 }; + int search_n = 9; + + for ( k=0; k<search_n; k++ ) { + + if ( (infs[p] + search_fs[k]) < 0 ) + continue; + if ( (infs[p] + search_fs[k]) >= w ) + continue; + if ( (inss[p] + search_ss[k]) < 0 ) + continue; + if ( (inss[p] + search_ss[k]) >= h ) + continue; + + curr_fs = infs[p] + search_fs[k]; + curr_ss = inss[p] + search_ss[k]; + pi = curr_fs + curr_ss * multip_w; + + curr_radius = (int)rint(r_map[pi]); + curr_threshold = rthreshold[curr_radius]; + + if ( copy[pi] > curr_threshold + && pix_in_peak_map[pi] == 0 + && mask[pi] != 0 ) { + + curr_i = copy[pi] - roffset[curr_radius]; + + *sum_i += curr_i; + *sum_com_fs += curr_i * ((float)curr_fs); + *sum_com_ss += curr_i * ((float)curr_ss); + + inss[*num_pix_in_peak] = inss[p] + search_ss[k]; + infs[*num_pix_in_peak] = infs[p] + search_fs[k]; + + pix_in_peak_map[pi] = 1; + if ( *num_pix_in_peak < max_pix_count ) + peak_pixels[*num_pix_in_peak] = pi; + *num_pix_in_peak = *num_pix_in_peak+1; + } + } +} + + +static void search_in_ring(int ring_width, int com_fs_int, int com_ss_int, + int h, int w, int multip_w, float *copy, + float *r_map, float *rthreshold, + float *roffset, char *pix_in_peak_map, + char *mask, float *local_sigma, + float *local_offset, float *background_max_i, + int com_idx, + int local_bg_radius) +{ + int ssj, fsi; + float pix_radius; + int pi; + int curr_radius; + float curr_threshold; + float curr_i; + + int np_sigma; + int np_counted; + int local_radius; + + float sum_i; + float sum_i_squared; + + ring_width = 2 * local_bg_radius; + + sum_i = 0; + sum_i_squared = 0; + np_sigma = 0; + np_counted = 0; + local_radius = 0; + + for ( ssj = -ring_width ; ssj<ring_width ; ssj++ ) { + for ( fsi = -ring_width ; fsi<ring_width ; fsi++ ) { + + if ( (com_fs_int + fsi) < 0 ) + continue; + if ( (com_fs_int + fsi) >= w ) + continue; + if ( (com_ss_int + ssj) < 0 ) + continue; + if ( (com_ss_int + ssj) >= h ) + continue; + + pix_radius = sqrt(fsi * fsi + ssj * ssj); + if ( pix_radius>ring_width ) + continue; + + pi = (com_fs_int +fsi) + (com_ss_int +ssj) * multip_w; + + curr_radius = rint(r_map[pi]); + curr_threshold = rthreshold[curr_radius]; + curr_i = copy[pi]; + + if ( copy[pi] < curr_threshold + && pix_in_peak_map[pi] == 0 + && mask[pi] != 0 ) { + + np_sigma++; + sum_i += curr_i; + sum_i_squared += (curr_i * curr_i); + + if ( curr_i > *background_max_i ) { + *background_max_i = curr_i; + } + } + np_counted += 1; + } + } + + if ( np_sigma != 0 ) { + *local_offset = sum_i / np_sigma; + *local_sigma = sqrt(sum_i_squared / np_sigma - + ((sum_i / np_sigma) * (sum_i / np_sigma))); + } else { + local_radius = rint(r_map[lrint(com_idx)]); + *local_offset = roffset[local_radius]; + *local_sigma = 0.01; + } +} + + +static int peakfinder8_multipanel(float *roffset, float *rthreshold, + float *data, char *mask, float *r_map, int w, + int h, int max_n_peaks, int *num_found_peaks, + int *npix, float *com_fs, float *com_ss, + float *tot_i, float *max_i, float *sigma, + float *snr, int min_pix_count, + int max_pix_count, int local_bg_radius, + float min_snr, int multip_w) +{ + int i, p, iss, ifs; + int peak_count; + int peak_idx; + int num_pix_in_peak, lt_num_pix_in_pk; + int idx, com_idx; + int curr_radius; + int ring_width; + int curr_idx; + int curr_fs, curr_ss; + int *peak_pixels; + int *infs; + int *inss; + float peak_com_fs, peak_com_ss; + float sum_com_fs, sum_com_ss, sum_i; + float peak_com_fs_int, peak_com_ss_int; + float curr_threshold; + float peak_tot_i, pk_tot_i_raw; + float peak_max_i, pk_max_i_raw; + float local_sigma; + float local_offset; + float background_max_i; + float f_background_thresh; + float peak_snr; + float curr_i, curr_i_raw; + float *copy; + char *pix_in_peak_map; + + copy = (float*) malloc(w*h*sizeof(float)); + if ( copy == NULL ) { + return 1; + } + + memcpy(copy, data, w*h*sizeof(float)); + pix_in_peak_map = calloc(w*h, sizeof(char)); + if ( pix_in_peak_map == NULL ) { + free(copy); + return 1; + } + + infs = (int *) calloc(w*h, sizeof(int)); + if ( infs == NULL ) { + free(pix_in_peak_map); + free(copy); + return 1; + } + + inss = (int *) calloc(w*h, sizeof(int)); + if ( inss == NULL ) { + free(infs); + free(pix_in_peak_map); + free(copy); + return 1; + } + + // TODO Possible bug: should 0,0 be included? + peak_pixels = calloc(max_pix_count, sizeof(int)); + if ( peak_pixels == NULL ) { + free(inss); + free(infs); + free(pix_in_peak_map); + free(copy); + return 1; + } + + for ( i = 0; i < w*h; i++ ) { + copy[i] *= mask[i]; + } + + peak_count = 0; + num_pix_in_peak = 0; + + for ( iss=0 ; iss<h ; iss++ ) { + for ( ifs=0 ; ifs<w ; ifs++ ) { + + idx = ifs+multip_w*iss; + + curr_radius = (int)r_map[idx]; + curr_threshold = rthreshold[curr_radius]; + + if ( copy[idx] > curr_threshold && + pix_in_peak_map[idx] == 0 ) { + + infs[0] = ifs; + inss[0] = iss; + + peak_pixels[0] = idx; + num_pix_in_peak = 1; + sum_i = 0; + sum_com_fs = 0; + sum_com_ss = 0; + + do { + lt_num_pix_in_pk = num_pix_in_peak; + + for ( p=0; p<num_pix_in_peak; p++ ) { + + peak_search(p, inss, infs, + h, w, multip_w, + copy, mask, + r_map, + rthreshold, + roffset, + pix_in_peak_map, + peak_pixels, + &num_pix_in_peak, + &sum_com_fs, + &sum_com_ss, + &sum_i, + max_pix_count); + } + + } while ( lt_num_pix_in_pk != num_pix_in_peak ); + + if ( num_pix_in_peak < min_pix_count + || num_pix_in_peak > max_pix_count) { + continue; + } + + peak_com_fs = sum_com_fs / fabs(sum_i); + peak_com_ss = sum_com_ss / fabs(sum_i); + com_idx = rint(peak_com_fs) + + rint(peak_com_ss) * multip_w; + + peak_com_fs_int = (int)rint(peak_com_fs); + peak_com_ss_int = (int)rint(peak_com_ss); + + local_sigma = 0.0; + local_offset = 0.0; + background_max_i = 0.0; + + search_in_ring(ring_width, peak_com_fs_int, + peak_com_ss_int, h, w, multip_w, + copy, r_map, rthreshold, + roffset, pix_in_peak_map, + mask, &local_sigma, + &local_offset, + &background_max_i, + com_idx, local_bg_radius); + + peak_tot_i = 0; + pk_tot_i_raw = 0; + peak_max_i = 0; + pk_max_i_raw = 0; + sum_com_fs = 0; + sum_com_ss = 0; + + for ( peak_idx = 1 ; + peak_idx < num_pix_in_peak && + peak_idx <= max_pix_count ; + peak_idx++ ) { + + curr_idx = peak_pixels[peak_idx]; + + curr_i_raw = copy[curr_idx]; + curr_i = curr_i_raw - local_offset; + + peak_tot_i += curr_i; + pk_tot_i_raw += curr_i_raw; + + curr_fs = curr_idx % multip_w; + curr_ss = curr_idx / multip_w; + sum_com_fs += curr_i * ((float)curr_fs); + sum_com_ss += curr_i * ((float)curr_ss); + + if ( curr_i_raw > pk_max_i_raw ) + pk_max_i_raw = curr_i_raw; + if ( curr_i > peak_max_i ) + peak_max_i = curr_i; + } + + peak_com_fs = sum_com_fs / fabs(peak_tot_i); + peak_com_ss = sum_com_ss / fabs(peak_tot_i); + peak_snr = peak_tot_i / local_sigma; + + + if (peak_snr < min_snr) { + continue; + } + + f_background_thresh = 1; + f_background_thresh *= + background_max_i - local_offset; + if (peak_max_i < f_background_thresh) + continue; + + if ( num_pix_in_peak >= min_pix_count + && num_pix_in_peak <= max_pix_count ) { + + if ( peak_tot_i == 0 ) + continue; + + if ( peak_count < max_n_peaks ) { + + int pidx; + pidx = peak_count; + + npix[pidx] = num_pix_in_peak; + com_fs[pidx] = peak_com_fs; + com_ss[pidx] = peak_com_ss; + tot_i[pidx] = peak_tot_i; + max_i[pidx] = peak_max_i; + sigma[pidx] = local_sigma; + snr[pidx] = peak_snr; + peak_count++; + } + else { + peak_count++; + } + } + } + } + } + *num_found_peaks = peak_count; + + free(peak_pixels); + free(inss); + free(infs); + free(pix_in_peak_map); + free(copy); + + return 0; +} + +static int peakfinder8_singlepanel(float *roffset, float *rthreshold, + float *data, char *mask, float *r_map, int w, + int h, int max_n_peaks, int *num_found_peaks, + int *npix, float *com_fs, float *com_ss, + float *tot_i, float *max_i, float *sigma, + float *snr, int min_pix_count, + int max_pix_count, int local_bg_radius, + float min_snr) +{ + return peakfinder8_multipanel(roffset, rthreshold, data, mask, r_map, + w, h, max_n_peaks, num_found_peaks, npix, + com_fs, com_ss, tot_i, max_i, sigma, snr, + min_pix_count, max_pix_count, + local_bg_radius, min_snr, w); + +} + + +int peakfinder8(struct image *img, int max_n_peaks, + float threshold, float min_snr, + int min_pix_count, int max_pix_count, + int local_bg_radius, int min_res, + int max_res) +{ + struct radius_maps *rmaps; + struct peakfinder_mask *pfmask; + struct peakfinder_panel_data *pfdata; + struct radial_stats *rstats; + struct peakfinder_peak_data *pkdata; + int num_rad_bins; + int pi; + int ret; + int num_found_peaks; + + if ( img-> det == NULL) { + return 1; + } + + rmaps = compute_radius_maps(img->det); + if ( rmaps == NULL ) { + return 1; + } + + pfmask = create_peakfinder_mask(img, rmaps, min_res, max_res); + if ( rmaps == NULL ) { + free_radius_maps(rmaps); + return 1; + } + + pfdata = allocate_panel_data(img); + if ( pfdata == NULL) { + free_radius_maps(rmaps); + free_peakfinder_mask(pfmask); + } + + for ( pi=0 ; pi<img->det->n_panels ; pi++ ) { + pfdata->panel_h[pi] = img->det->panels[pi].h; + pfdata->panel_w[pi] = img->det->panels[pi].w; + pfdata->panel_data[pi] = img->dp[pi]; + } + + num_rad_bins = compute_num_radial_bins(img->det->n_panels, + pfdata->panel_w, + pfdata->panel_h, + rmaps->r_maps); + + rstats = allocate_radial_stats(num_rad_bins); + if ( rstats == NULL ) { + free_radius_maps(rmaps); + free_peakfinder_mask(pfmask); + free_panel_data(pfdata); + return 1; + } + + ret = compute_radial_stats(pfdata->panel_data, pfdata->num_panels, + pfdata->panel_w, pfdata->panel_h, + rmaps->r_maps, + pfmask->masks, rstats->rthreshold, + rstats->roffset, num_rad_bins, + min_snr, threshold, 5); + if ( ret != 0 ) { + free_radius_maps(rmaps); + free_peakfinder_mask(pfmask); + free_panel_data(pfdata); + free_radial_stats(rstats); + return 1; + } + + pkdata = allocate_peak_data(max_n_peaks); + if ( pkdata == NULL ) { + free_radius_maps(rmaps); + free_peakfinder_mask(pfmask); + free_panel_data(pfdata); + free_radial_stats(rstats); + return 1; + } + + for ( pi=0 ; pi<img->det->n_panels ; pi++) { + + int peaks_to_add; + int pki; + + num_found_peaks = 0; + + ret = peakfinder8_singlepanel(rstats->roffset, + rstats->rthreshold, + pfdata->panel_data[pi], + pfmask->masks[pi], + rmaps->r_maps[pi], + pfdata->panel_w[pi], + pfdata->panel_h[pi], + max_n_peaks, + &num_found_peaks, + pkdata->npix, + pkdata->com_fs, + pkdata->com_ss, + pkdata->tot_i, + pkdata->max_i, + pkdata->sigma, + pkdata->snr, + min_pix_count, + max_pix_count, + local_bg_radius, + min_snr); + + peaks_to_add = num_found_peaks; + + if ( num_found_peaks > max_n_peaks ) { + peaks_to_add = max_n_peaks; + } + + for ( pki=0 ; pki<peaks_to_add ; pki++ ) { + + struct panel *p; + + p = &img->det->panels[pi]; + + image_add_feature(img->features, + pkdata->com_fs[pki], + pkdata->com_ss[pki], + p, + img, + pkdata->tot_i[pki], + NULL); + + } + } + + free_radius_maps(rmaps); + free_peakfinder_mask(pfmask); + free_panel_data(pfdata); + free_radial_stats(rstats); + free_peak_data(pkdata); + return 0; +} diff --git a/libcrystfel/src/peakfinder8.h b/libcrystfel/src/peakfinder8.h new file mode 100644 index 00000000..34cf5d62 --- /dev/null +++ b/libcrystfel/src/peakfinder8.h @@ -0,0 +1,42 @@ +/* + * peakfinder8.h + * + * The processing pipeline for one image + * + * Copyright © 2012-2017 Deutsches Elektronen-Synchrotron DESY, + * a research centre of the Helmholtz Association. + * + * Authors: + * 2017 Valerio Mariani <valerio.mariani@desy.de> + * 2017 Anton Barty <anton.barty@desy.de> + * 2017 Oleksandr Yefanov <oleksandr.yefanov@desy.de> + * + * 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/>. + * + */ + +#ifndef PEAKFINDER8_H +#define PEAKFINDER8_H + +#include "image.h" + +int peakfinder8(struct image *img, int max_n_peaks, + float threshold, float min_snr, + int mix_pix_count, int max_pix_count, + int local_bg_radius, int min_res, + int max_res); + +#endif // PEAKFINDER8_H diff --git a/libcrystfel/src/peaks.c b/libcrystfel/src/peaks.c index cb2a9f5a..ea2fe3e3 100644 --- a/libcrystfel/src/peaks.c +++ b/libcrystfel/src/peaks.c @@ -3,7 +3,7 @@ * * Peak search and other image analysis * - * Copyright © 2012-2016 Deutsches Elektronen-Synchrotron DESY, + * Copyright © 2012-2017 Deutsches Elektronen-Synchrotron DESY, * a research centre of the Helmholtz Association. * Copyright © 2012 Richard Kirian * @@ -12,6 +12,7 @@ * 2012 Kenneth Beyerlein <kenneth.beyerlein@desy.de> * 2011 Andrew Martin <andrew.martin@desy.de> * 2011 Richard Kirian + * 2017 Valerio Mariani <valerio.mariani@desy.de> * * This file is part of CrystFEL. * @@ -52,6 +53,7 @@ #include "reflist-utils.h" #include "cell-utils.h" #include "geometry.h" +#include "peakfinder8.h" static int cull_peaks_in_panel(struct image *image, struct panel *p) @@ -517,8 +519,8 @@ static void search_peaks_in_panel(struct image *image, float threshold, void search_peaks(struct image *image, float threshold, float min_gradient, - float min_snr, double ir_inn, double ir_mid, double ir_out, - int use_saturated) + float min_snr, double ir_inn, double ir_mid, + double ir_out, int use_saturated) { int i; @@ -541,6 +543,26 @@ void search_peaks(struct image *image, float threshold, float min_gradient, } +int search_peaks_peakfinder8(struct image *image, int max_n_peaks, + float threshold, float min_snr, + int min_pix_count, int max_pix_count, + int local_bg_radius, int min_res, + int max_res) +{ + if ( image->features != NULL ) { + image_feature_list_free(image->features); + } + image->features = image_feature_list_new(); + image->num_peaks = 0; + image->num_saturated_peaks = 0; + + return peakfinder8(image, max_n_peaks, threshold, min_snr, + min_pix_count, max_pix_count, + local_bg_radius, min_res, + max_res); +} + + int peak_sanity_check(struct image *image, Crystal **crystals, int n_cryst) { int n_feat = 0; diff --git a/libcrystfel/src/peaks.h b/libcrystfel/src/peaks.h index ba724419..dfc286cf 100644 --- a/libcrystfel/src/peaks.h +++ b/libcrystfel/src/peaks.h @@ -3,11 +3,12 @@ * * Peak search and other image analysis * - * Copyright © 2012-2015 Deutsches Elektronen-Synchrotron DESY, + * Copyright © 2012-2017 Deutsches Elektronen-Synchrotron DESY, * a research centre of the Helmholtz Association. * * Authors: * 2010-2015 Thomas White <taw@physics.org> + * 2017 Valerio Mariani <valerio.mariani@desy.de> * * This file is part of CrystFEL. * @@ -45,9 +46,14 @@ extern "C" { extern int *make_BgMask(struct image *image, struct panel *p, double ir_inn); extern void search_peaks(struct image *image, float threshold, - float min_gradient, float min_snr, - double ir_inn, double ir_mid, double ir_out, - int use_saturated); + float min_gradient, float min_snr, double ir_inn, + double ir_mid, double ir_out, int use_saturated); + +extern int search_peaks_peakfinder8(struct image *image, int max_n_peaks, + float threshold, float min_snr, + int mix_pix_count, int max_pix_count, + int local_bg_radius, int min_res, + int max_res); extern int peak_sanity_check(struct image *image, Crystal **crystals, int n_cryst); diff --git a/src/indexamajig.c b/src/indexamajig.c index a1997b9e..ed66f803 100644 --- a/src/indexamajig.c +++ b/src/indexamajig.c @@ -13,6 +13,7 @@ * 2011 Richard Kirian * 2012 Lorenzo Galli * 2012 Chunhong Yoon + * 2017 Valerio Mariani <valerio.mariani@desy.de> * * This file is part of CrystFEL. * @@ -88,6 +89,7 @@ static void show_help(const char *s) " --peaks=<method> Use 'method' for finding peaks. Choose from:\n" " zaef : Use Zaefferer (2000) gradient detection.\n" " This is the default method.\n" +" peakfinder8: Use Peakfinder8 algorithm.\n" " hdf5 : Get from a table in HDF5 file.\n" " cxi : Get from CXI format HDF5 file.\n" " --hdf5-peaks=<p> Find peaks table in HDF5 file here.\n" @@ -95,23 +97,42 @@ static void show_help(const char *s) " --integration=<meth> Perform final pattern integration using <meth>.\n" "\n\n" "For more control over the process, you might need:\n\n" -" --tolerance=<tol> Set the tolerances for cell comparison.\n" -" Default: 5,5,5,1.5.\n" -" --filter-noise Apply an aggressive noise filter which sets all\n" -" pixels in each 3x3 region to zero if any of them\n" -" have negative values. Intensity measurement will\n" -" be performed on the image as it was before this.\n" -" --median-filter=<n> Apply a median filter to the image data. Intensity\n" -" measurement will be performed on the image as it\n" -" was before this. The side length of the median\n" -" filter box will be 2<n>+1. Default: 0 (no filter).\n" -" --no-sat-corr Don't correct values of saturated peaks using a\n" -" table included in the HDF5 file.\n" -" --threshold=<n> Only accept peaks above <n> ADU. Default: 800.\n" -" --min-gradient=<n> Minimum squared gradient for Zaefferer peak search.\n" -" Default: 100,000.\n" -" --min-snr=<n> Minimum signal-to-noise ratio for peaks.\n" -" Default: 5.\n" +" --tolerance=<tol> Set the tolerances for cell comparison.\n" +" Default: 5,5,5,1.5.\n" +" --filter-noise Apply an aggressive noise filter which sets all\n" +" pixels in each 3x3 region to zero if any of them\n" +" have negative values. Intensity measurement will\n" +" be performed on the image as it was before this.\n" +" --median-filter=<n> Apply a median filter to the image data. Intensity\n" +" measurement will be performed on the image as it\n" +" was before this. The side length of the median\n" +" filter box will be 2<n>+1.\n" +" Default: 0 (no filter).\n" +" --no-sat-corr Don't correct values of saturated peaks using a\n" +" table included in the HDF5 file.\n" +" --threshold=<n> Only accept peaks above <n> ADU in both the\n" +" Zaefferer and Peakfinder8 algorithms." +" Default: 800.\n" +" --min-gradient=<n> Minimum squared gradient for Zaefferer peak\n" +" search. Default: 100,000.\n" +" --min-snr=<n> Minimum signal-to-noise ratio for peaks, with both" +" Zaefferer and Peakfinder8 algorithms.\n" +" Default: 5.\n" +" --min-pix-count=<n> Only accept peaks if they include more than <n>" +" pixels, in the Peakfinder8 algorithm." +" Default: 2.\n" +" --max-pix-count=<n> Only accept peaks if they include less than <n>" +" pixels, in the Peakfinder8 algorithm." +" Default: 200.\n" +" --local-bg-radius=<n> Radius (in pixels) to use for the estimation of\n" +" local background in the Peakfinder8 algorithm.\n" +" Default: 3.\n" +" --min-res=<n> Only accept peaks if they lay at more than <n>\n" +" pixels from the center of the detector, int the\n" +" peakfinder8 algorithm. Default: 0.\n" +" --max-res=<n> Only accept peaks if they lay at less than <n>\n" +" pixels from the center of the detector, int the\n" +" peakfinder8 algorithm. Default: 1200.\n" " --check-hdf5-snr Check SNR for peaks from --peaks=hdf5.\n" " --peak-radius=<r> Integration radii for peak search.\n" " --int-radius=<r> Set the integration radii. Default: 4,5,7.\n" @@ -214,6 +235,11 @@ int main(int argc, char *argv[]) iargs.threshold = 800.0; iargs.min_gradient = 100000.0; iargs.min_snr = 5.0; + iargs.min_pix_count = 2; + iargs.min_pix_count = 200; + iargs.min_res = 0; + iargs.max_res = 1200; + iargs.local_bg_radius = 3; iargs.check_hdf5_snr = 0; iargs.det = NULL; iargs.peaks = PEAK_ZAEF; @@ -306,6 +332,11 @@ int main(int argc, char *argv[]) {"fix-bandwidth", 1, NULL, 23}, {"fix-divergence", 1, NULL, 24}, {"felix-options", 1, NULL, 25}, + {"min-pix-count", 1, NULL, 26}, + {"max-pix-count", 1, NULL, 27}, + {"local-bg-radius", 1, NULL, 28}, + {"min-res", 1, NULL, 29}, + {"max-res", 1, NULL, 30}, {0, 0, NULL, 0} }; @@ -489,6 +520,26 @@ int main(int argc, char *argv[]) } break; + case 26: + iargs.min_pix_count = atoi(optarg); + break; + + case 27: + iargs.max_pix_count = atoi(optarg); + break; + + case 28: + iargs.local_bg_radius = atoi(optarg); + break; + + case 29: + iargs.min_res = atoi(optarg); + break; + + case 30: + iargs.max_res = atoi(optarg); + break; + case 0 : break; @@ -541,6 +592,8 @@ int main(int argc, char *argv[]) } if ( strcmp(speaks, "zaef") == 0 ) { iargs.peaks = PEAK_ZAEF; + } else if ( strcmp(speaks, "peakfinder8") == 0 ) { + iargs.peaks = PEAK_PEAKFINDER8; } else if ( strcmp(speaks, "hdf5") == 0 ) { iargs.peaks = PEAK_HDF5; } else if ( strcmp(speaks, "cxi") == 0 ) { diff --git a/src/process_image.c b/src/process_image.c index bcaee543..1d7b82e4 100644 --- a/src/process_image.c +++ b/src/process_image.c @@ -8,7 +8,7 @@ * * Authors: * 2010-2017 Thomas White <taw@physics.org> - * 2014 Valerio Mariani + * 2014-2017 Valerio Mariani <valerio.mariani@desy.de> * * This file is part of CrystFEL. * @@ -191,6 +191,27 @@ void process_image(const struct index_args *iargs, struct pattern_args *pargs, iargs->use_saturated); break; + case PEAK_PEAKFINDER8: + if ( search_peaks_peakfinder8(&image, 2048, + iargs->threshold, + iargs->min_snr, + iargs->min_pix_count, + iargs->max_pix_count, + iargs->local_bg_radius, + iargs->min_res, + iargs->max_res) ) { + if ( image.event != NULL ) { + ERROR("Failed to find peaks in image %s" + "(event %s).\n", image.filename, + get_event_string(image.event)); + } else { + ERROR("Failed to find peaks in image %s.", + image.filename); + } + + } + break; + } restore_image_data(image.dp, image.det, prefilter); diff --git a/src/process_image.h b/src/process_image.h index d41c23f5..4c5c5a96 100644 --- a/src/process_image.h +++ b/src/process_image.h @@ -3,12 +3,12 @@ * * The processing pipeline for one image * - * Copyright © 2012-2016 Deutsches Elektronen-Synchrotron DESY, + * Copyright © 2012-2017 Deutsches Elektronen-Synchrotron DESY, * a research centre of the Helmholtz Association. * * Authors: * 2010-2016 Thomas White <taw@physics.org> - * 2014 Valerio Mariani + * 2014-2017 Valerio Mariani <valerio.mariani@desy.de> * * This file is part of CrystFEL. * @@ -42,6 +42,7 @@ struct index_args; enum { + PEAK_PEAKFINDER8, PEAK_ZAEF, PEAK_HDF5, PEAK_CXI, @@ -73,6 +74,13 @@ struct index_args float ir_inn; float ir_mid; float ir_out; + int iterations; + int min_res; + int max_res; + int max_n_peaks; + int min_pix_count; + int max_pix_count; + int local_bg_radius; struct copy_hdf5_field *copyme; int integrate_saturated; int use_saturated; |