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author | Thomas White <taw@physics.org> | 2018-11-06 14:46:49 +0100 |
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committer | Thomas White <taw@physics.org> | 2018-11-06 14:46:49 +0100 |
commit | 0632f90091e2dbee2c0e3837130e859e5b5ce708 (patch) | |
tree | c85118b59af16433b25663666083b014141540b5 | |
parent | fc916fa289b857a869190d4cfb2826555b39854b (diff) |
Exclude flagged crystals from deltaCChalf calculation
-rw-r--r-- | src/rejection.c | 8 |
1 files changed, 5 insertions, 3 deletions
diff --git a/src/rejection.c b/src/rejection.c index 397aa97a..ebca6957 100644 --- a/src/rejection.c +++ b/src/rejection.c @@ -218,9 +218,11 @@ static double calculate_cchalf(RefList *template, RefList *full, res = resolution(crystal_get_cell(c->contrib_crystals[0]), h, k, l); - /* Remove contribution(s) from the excluded crystal */ - if ( exclude != NULL ) { - refl = find_refl(crystal_get_reflections(exclude), h, k, l); + /* Remove contribution(s) from the excluded crystal. + * If the crystal is marked as bad, we should not remove it + * because it did not contribute in the first place. */ + if ( exclude != NULL && !crystal_get_user_flag(exclude) ) { + exrefl = find_refl(crystal_get_reflections(exclude), h, k, l); } else { exrefl = NULL; } |