diff options
| -rw-r--r-- | src/ambigator.c | 10 |
1 files changed, 10 insertions, 0 deletions
diff --git a/src/ambigator.c b/src/ambigator.c index d60c484b..e685066d 100644 --- a/src/ambigator.c +++ b/src/ambigator.c @@ -231,6 +231,7 @@ static void detwin(struct flist **crystals, int n_crystals, SymOpList *amb, int nch = 0; float mf = 0.0; int nmf = 0; + int ndud = 0; for ( i=0; i<n_crystals; i++ ) { @@ -263,6 +264,11 @@ static void detwin(struct flist **crystals, int n_crystals, SymOpList *amb, } + if ( (p==0) || (q==0) ) { + ndud++; + continue; + } + f /= p; g /= q; if ( (p==0) || (q==0) ) continue; @@ -277,6 +283,10 @@ static void detwin(struct flist **crystals, int n_crystals, SymOpList *amb, } + if ( ndud > 0 ) { + STATUS("Warning: %i crystals had no correlation\n", ndud); + } + STATUS("Mean f = %f, changed %i assignments this time.\n", mf/nmf, nch); } |