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-rw-r--r--src/reflections.c43
1 files changed, 35 insertions, 8 deletions
diff --git a/src/reflections.c b/src/reflections.c
index 0474d517..98fc9bab 100644
--- a/src/reflections.c
+++ b/src/reflections.c
@@ -22,10 +22,40 @@
#include "beam-parameters.h"
+double *poisson_esds(double *intensities, ReflItemList *items,
+ double adu_per_photon)
+{
+ int i;
+ double *esds = new_list_intensity();
+
+ for ( i=0; i<num_items(items); i++ ) {
+
+ struct refl_item *it;
+ signed int h, k, l;
+ double intensity, sigma;
+
+ it = get_item(items, i);
+ h = it->h; k = it->k; l = it->l;
+
+ intensity = lookup_intensity(intensities, h, k, l);
+
+ if ( intensity > 0.0 ) {
+ sigma = adu_per_photon * sqrt(intensity/adu_per_photon);
+ } else {
+ sigma = 0.0;
+ }
+
+ set_intensity(esds, h, k, l, sigma);
+
+ }
+
+ return esds;
+}
+
+
void write_reflections(const char *filename, ReflItemList *items,
- double *intensities, double *phases,
- unsigned int *counts, UnitCell *cell,
- double adu_per_photon)
+ double *intensities, double *esds, double *phases,
+ unsigned int *counts, UnitCell *cell)
{
FILE *fh;
int i;
@@ -79,8 +109,8 @@ void write_reflections(const char *filename, ReflItemList *items,
s = 0.0;
}
- if ( intensity > 0.0 ) {
- sigma = adu_per_photon * sqrt(intensity/adu_per_photon);
+ if ( esds != NULL ) {
+ sigma = lookup_intensity(esds, h, k, l);
} else {
sigma = 0.0;
}
@@ -90,9 +120,6 @@ void write_reflections(const char *filename, ReflItemList *items,
h, k, l, intensity, ph, sigma, s/1.0e9, N);
}
- STATUS("Warning: Errors have been estimated from Poisson distribution"
- " assuming %5.2f ADU per photon.\n", adu_per_photon);
- STATUS("This is not necessarily a useful estimate.\n");
fclose(fh);
}