diff options
| author | Thomas White <taw@physics.org> | 2017-12-12 15:31:09 +0100 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2018-02-27 17:12:42 +0100 |
| commit | 30f5b6bebbbb1b2895f9dac6e5b0899c04b273a9 (patch) | |
| tree | 2d15a8a8421ba398a4a17f183b27cda7435142d8 | |
| parent | d0420aad1a869077c6a420c2bb5915a4b1ebcbf8 (diff) | |
More reflection criteria
| -rw-r--r-- | src/scaling.c | 6 |
1 files changed, 6 insertions, 0 deletions
diff --git a/src/scaling.c b/src/scaling.c index 78cfed6b..02617ba8 100644 --- a/src/scaling.c +++ b/src/scaling.c @@ -199,6 +199,8 @@ int linear_scale(const RefList *list1, const RefList *list2, double *G) int n_nan2 = 0; int n_inf1 = 0; int n_inf2 = 0; + int n_part = 0; + int n_nom = 0; x = malloc(max_n*sizeof(double)); w = malloc(max_n*sizeof(double)); @@ -221,6 +223,7 @@ int linear_scale(const RefList *list1, const RefList *list2, double *G) get_indices(refl2, &h, &k, &l); refl1 = find_refl(list1, h, k, l); if ( refl1 == NULL ) { + n_nom++; continue; } @@ -234,6 +237,7 @@ int linear_scale(const RefList *list1, const RefList *list2, double *G) if ( isinf(Ih1) ) { n_inf1++; continue; } if ( isnan(Ih2) ) { n_nan2++; continue; } if ( isinf(Ih2) ) { n_inf2++; continue; } + if ( get_partiality(refl2) < 0.1 ) { n_part++; continue; } if ( Ih1 <= 0.0 ) { n_ih1++; continue; } if ( Ih2 <= 0.0 ) { n_ih2++; continue; } if ( Ih1 <= 3.0*esd1 ) { n_esd1++; continue; } @@ -268,6 +272,8 @@ int linear_scale(const RefList *list1, const RefList *list2, double *G) if ( n_nan2 ) ERROR("%i subject reflection nan\n", n_nan2); if ( n_inf1 ) ERROR("%i reference reflection inf\n", n_inf1); if ( n_inf2 ) ERROR("%i subject reflection inf\n", n_inf2); + if ( n_part ) ERROR("%i subject reflection partiality\n", n_part); + if ( n_nom ) ERROR("%i no match in reference list\n", n_nom); return 1; } |