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-rw-r--r--src/scaling.c30
1 files changed, 25 insertions, 5 deletions
diff --git a/src/scaling.c b/src/scaling.c
index bf8857ac..490afb59 100644
--- a/src/scaling.c
+++ b/src/scaling.c
@@ -191,6 +191,14 @@ int linear_scale(const RefList *list1, const RefList *list2, double *G)
int r;
double cov11;
double sumsq;
+ int n_esd1 = 0;
+ int n_esd2 = 0;
+ int n_ih1 = 0;
+ int n_ih2 = 0;
+ int n_nan1 = 0;
+ int n_nan2 = 0;
+ int n_inf1 = 0;
+ int n_inf2 = 0;
x = malloc(max_n*sizeof(double));
w = malloc(max_n*sizeof(double));
@@ -221,12 +229,16 @@ int linear_scale(const RefList *list1, const RefList *list2, double *G)
esd1 = get_esd_intensity(refl1);
esd2 = get_esd_intensity(refl2);
- if ( Ih1 <= 3.0*esd1 ) continue;
- if ( Ih2 <= 3.0*esd2 ) continue;
- if ( (Ih1 <= 0.0) || (Ih2 <= 0.0) ) continue;
+ /* Problem cases in approximate descending order of severity */
+ if ( isnan(Ih1) ) { n_nan1++; continue; }
+ if ( isinf(Ih1) ) { n_inf1++; continue; }
+ if ( isnan(Ih2) ) { n_nan2++; continue; }
+ if ( isinf(Ih2) ) { n_inf2++; continue; }
+ if ( Ih1 <= 0.0 ) { n_ih1++; continue; }
+ if ( Ih2 <= 0.0 ) { n_ih2++; continue; }
+ if ( Ih1 <= 3.0*esd1 ) { n_esd1++; continue; }
+ if ( Ih2 <= 3.0*esd2 ) { n_esd2++; continue; }
if ( get_redundancy(refl1) < 2 ) continue;
- if ( isnan(Ih1) || isinf(Ih1) ) continue;
- if ( isnan(Ih2) || isinf(Ih2) ) continue;
if ( n == max_n ) {
max_n *= 2;
@@ -248,6 +260,14 @@ int linear_scale(const RefList *list1, const RefList *list2, double *G)
if ( n < 2 ) {
ERROR("Not enough reflections for scaling (had %i, but %i remain)\n", nb, n);
+ if ( n_esd1 ) ERROR("%i reference reflection esd\n", n_esd1);
+ if ( n_esd2 ) ERROR("%i subject reflection esd\n", n_esd2);
+ if ( n_ih1 ) ERROR("%i reference reflection intensity\n", n_ih1);
+ if ( n_ih2 ) ERROR("%i subject reflection intensity\n", n_ih2);
+ if ( n_nan1 ) ERROR("%i reference reflection nan\n", n_nan1);
+ 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);
return 1;
}