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authorThomas White <taw@physics.org>2018-11-16 16:07:09 +0100
committerThomas White <taw@physics.org>2018-11-22 13:17:05 +0100
commit7c841071a20020e0dcdeee8460bcc7b2d09ec6e8 (patch)
tree39f1aae2c22a6d5b0248f45158cc56535b3fb4b4 /src/rejection.c
parent89bf2f6de2be2a276d8c349a1fa6ff6c63b5e7fe (diff)
Don't do deltaCChalf with reference data set
Diffstat (limited to 'src/rejection.c')
-rw-r--r--src/rejection.c11
1 files changed, 8 insertions, 3 deletions
diff --git a/src/rejection.c b/src/rejection.c
index 05acb0db..b3a3cb67 100644
--- a/src/rejection.c
+++ b/src/rejection.c
@@ -95,7 +95,7 @@ void early_rejection(Crystal **crystals, int n)
}
-static void calculate_refl_mean_var(RefList *full)
+static int calculate_refl_mean_var(RefList *full)
{
Reflection *refl;
RefListIterator *iter;
@@ -129,7 +129,7 @@ static void calculate_refl_mean_var(RefList *full)
K = get_intensity(refl);
c = get_contributions(refl);
- assert(c != NULL);
+ if ( c == NULL ) return 1;
/* Calculate the resolution just once, using the cell from the
* first crystal to contribute, otherwise it takes too long */
@@ -160,6 +160,7 @@ static void calculate_refl_mean_var(RefList *full)
set_temp2(refl, Ex2);
}
+ return 0;
}
@@ -289,7 +290,11 @@ static void check_deltacchalf(Crystal **crystals, int n, RefList *full)
int nref = 0;
int nnan = 0;
- calculate_refl_mean_var(full);
+ if ( calculate_refl_mean_var(full) ) {
+ STATUS("No reflection contributions for deltaCChalf "
+ "calculation (using reference reflections?)\n");
+ return;
+ }
cchalf = calculate_cchalf(full, full, NULL, &nref);
STATUS("Overall CChalf = %f %% (%i reflections)\n", cchalf*100.0, nref);