diff options
| author | Thomas White <taw@physics.org> | 2018-05-03 17:08:32 +0200 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2018-05-07 10:08:02 +0200 |
| commit | 1ebacfaefaf609f148beb858223db875b5b5e269 (patch) | |
| tree | f711c4f6b320e6ce6702ab433af090e931b60409 /src | |
| parent | 2fcc4e3721b3ff5006f2d40176577ee2ce57de17 (diff) | |
Add more reflection checks before scaling
Diffstat (limited to 'src')
| -rw-r--r-- | src/scaling.c | 4 |
1 files changed, 4 insertions, 0 deletions
diff --git a/src/scaling.c b/src/scaling.c index 5fbf541a..238e97ec 100644 --- a/src/scaling.c +++ b/src/scaling.c @@ -217,6 +217,7 @@ int scale_one_crystal(Crystal *cr, const RefList *listR, int flags) int n_infR = 0; int n_part = 0; int n_nom = 0; + int n_red = 0; RefList *listS = crystal_get_reflections(cr); UnitCell *cell = crystal_get_cell(cr); double G, B; @@ -268,6 +269,8 @@ int scale_one_crystal(Crystal *cr, const RefList *listR, int flags) if ( pS < 0.3 ) { n_part++; continue; } if ( IhS <= 0.0 ) { n_ihS++; continue; } if ( IhS <= 3.0*esdS ) { n_esdS++; continue; } + if ( IhR <= 0.0 ) { n_ihR++; continue; } + if ( get_redundancy(reflR) < 2 ) { n_red++; continue; } if ( n == max_n ) { max_n *= 2; @@ -293,6 +296,7 @@ int scale_one_crystal(Crystal *cr, const RefList *listR, int flags) if ( n_esdR ) ERROR("%i reference reflection esd\n", n_esdR); if ( n_esdS ) ERROR("%i subject reflection esd\n", n_esdS); if ( n_ihR ) ERROR("%i reference reflection intensity\n", n_ihR); + if ( n_red ) ERROR("%i reference reflection redundancy\n", n_red); if ( n_ihS ) ERROR("%i subject reflection intensity\n", n_ihS); if ( n_nanR ) ERROR("%i reference reflection nan\n", n_nanR); if ( n_nanS ) ERROR("%i subject reflection nan\n", n_nanS); |