diff options
| -rw-r--r-- | src/merge.c | 9 | ||||
| -rw-r--r-- | src/merge.h | 2 | ||||
| -rw-r--r-- | src/partialator.c | 10 |
3 files changed, 14 insertions, 7 deletions
diff --git a/src/merge.c b/src/merge.c index 9ff64b57..4f2fa9a9 100644 --- a/src/merge.c +++ b/src/merge.c @@ -61,6 +61,7 @@ struct merge_queue_args int n_started; PartialityModel pmodel; double push_res; + int use_weak; }; @@ -114,6 +115,11 @@ static void run_merge_job(void *vwargs, int cookie) if ( get_partiality(refl) < MIN_PART_MERGE ) continue; + if ( !wargs->qargs->use_weak + && (get_intensity(refl) < 3.0*get_esd_intensity(refl)) ) { + continue; + } + get_indices(refl, &h, &k, &l); pthread_rwlock_rdlock(&wargs->qargs->full_lock); f = find_refl(full, h, k, l); @@ -197,7 +203,7 @@ static void finalise_merge_job(void *vqargs, void *vwargs) RefList *merge_intensities(Crystal **crystals, int n, int n_threads, PartialityModel pmodel, int min_meas, - double push_res) + double push_res, int use_weak) { RefList *full; RefList *full2; @@ -217,6 +223,7 @@ RefList *merge_intensities(Crystal **crystals, int n, int n_threads, qargs.crystals = crystals; qargs.pmodel = pmodel; qargs.push_res = push_res; + qargs.use_weak = use_weak; pthread_rwlock_init(&qargs.full_lock, NULL); run_threads(n_threads, run_merge_job, create_merge_job, diff --git a/src/merge.h b/src/merge.h index b8af63b8..1911584f 100644 --- a/src/merge.h +++ b/src/merge.h @@ -41,6 +41,6 @@ extern RefList *merge_intensities(Crystal **crystals, int n, int n_threads, PartialityModel pmodel, int min_meas, - double push_res); + double push_res, int use_weak); #endif /* MERGE */ diff --git a/src/partialator.c b/src/partialator.c index 81c5ab37..26c72696 100644 --- a/src/partialator.c +++ b/src/partialator.c @@ -189,13 +189,13 @@ static void write_split(Crystal **crystals, int n_crystals, const char *outfile, } snprintf(tmp, 1024, "%s1", outfile); split = merge_intensities(crystals1, n_crystals1, nthreads, - pmodel, min_measurements, push_res); + pmodel, min_measurements, push_res, 1); STATUS("Writing two-way split to %s ", tmp); write_reflist_2(tmp, split, sym); reflist_free(split); snprintf(tmp, 1024, "%s2", outfile); split = merge_intensities(crystals2, n_crystals2, nthreads, - pmodel, min_measurements, push_res); + pmodel, min_measurements, push_res, 1); STATUS("and %s\n", tmp); write_reflist_2(tmp, split, sym); reflist_free(split); @@ -276,7 +276,7 @@ static void write_custom_split(struct custom_split *csplit, int dsn, STATUS("Writing dataset '%s' to %s (%i crystals)\n", csplit->dataset_names[dsn], tmp, n_crystalsn); split = merge_intensities(crystalsn, n_crystalsn, nthreads, - pmodel, min_measurements, push_res); + pmodel, min_measurements, push_res, 1); write_reflist_2(tmp, split, sym); reflist_free(split); @@ -995,7 +995,7 @@ int main(int argc, char *argv[]) /* Make initial estimates */ full = merge_intensities(crystals, n_crystals, nthreads, pmodel, - min_measurements, push_res); + min_measurements, push_res, 1); check_rejection(crystals, n_crystals, full); @@ -1020,7 +1020,7 @@ int main(int argc, char *argv[]) /* Re-estimate all the full intensities */ reflist_free(full); full = merge_intensities(crystals, n_crystals, nthreads, - pmodel, min_measurements, push_res); + pmodel, min_measurements, push_res, 1); write_pgraph(full, crystals, n_crystals, i+1); |