diff options
| author | Thomas White <taw@physics.org> | 2015-07-20 16:33:35 +0200 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2015-07-21 10:18:33 +0200 |
| commit | 33aa23c9d287ee0a34c445f7625a71d72657c061 (patch) | |
| tree | d8e4affbbd832f2e40ae5dcf0c58cfb2925b28c8 /src/rejection.c | |
| parent | 466402c6a1b2804c168aa0da40a54842243ca60a (diff) | |
partialator: Tidy up handling of bad crystals
Diffstat (limited to 'src/rejection.c')
| -rw-r--r-- | src/rejection.c | 5 |
1 files changed, 3 insertions, 2 deletions
diff --git a/src/rejection.c b/src/rejection.c index a565fec3..e49aaf19 100644 --- a/src/rejection.c +++ b/src/rejection.c @@ -39,6 +39,7 @@ #include "reflist.h" #include "rejection.h" #include "cell-utils.h" +#include "post-refinement.h" static double mean_intensity(RefList *list) @@ -147,7 +148,7 @@ static void check_cc(Crystal *cr, RefList *full) cc = gsl_stats_correlation(vec1, 1, vec2, 1, i); //printf("%f\n", cc); - if ( cc < 0.5 ) crystal_set_user_flag(cr, 6); + if ( cc < 0.5 ) crystal_set_user_flag(cr, PRFLAG_CC); free(vec1); free(vec2); @@ -176,7 +177,7 @@ void check_rejection(Crystal **crystals, int n, RefList *full) /* Reject if B factor modulus is very large */ if ( fabs(crystal_get_Bfac(crystals[i])) > 1e-18 ) { - crystal_set_user_flag(crystals[i], 1); + crystal_set_user_flag(crystals[i], PRFLAG_BIGB); } if ( crystal_get_user_flag(crystals[i]) == 0 ) n_acc++; |