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authorAndrew Martin <amartin@cfelsgi.desy.de>2011-03-23 15:00:13 +0100
committerThomas White <taw@physics.org>2012-02-22 15:27:26 +0100
commitf69a74040715b52de96e493b0a9d23fbb391548a (patch)
tree96e23ceb12ec59fdd6b523d0f44916131e1edcd6 /src/process_hkl.c
parent4517782297a62a0a9ad4cce553d5bec6a3c71225 (diff)
Added background subtraction and sigma
Diffstat (limited to 'src/process_hkl.c')
-rw-r--r--src/process_hkl.c28
1 files changed, 21 insertions, 7 deletions
diff --git a/src/process_hkl.c b/src/process_hkl.c
index e5a1f4d0..10597337 100644
--- a/src/process_hkl.c
+++ b/src/process_hkl.c
@@ -4,7 +4,7 @@
* Assemble and process FEL Bragg intensities
*
* (c) 2006-2011 Thomas White <taw@physics.org>
- *
+ * 2011 Andrew Martin
* Part of CrystFEL - crystallography with a FEL
*
*/
@@ -171,8 +171,12 @@ static void merge_pattern(RefList *model, RefList *new, int max_only,
} else if ( pass == 2 ) {
double dev = get_sum_squared_dev(model_version);
- set_sum_squared_dev(model_version,
- dev + pow(intensity-model_int, 2.0));
+ double refl_esd = get_esd_intensity(refl);
+
+ set_sum_squared_dev(model_version,
+ // dev + pow(refl_esd,2.0) );
+ dev + pow(intensity, 2.0) );
+ // dev + pow(intensity-model_int, 2.0));
if ( hist_vals != NULL ) {
int p = *hist_n;
@@ -188,6 +192,8 @@ static void merge_pattern(RefList *model, RefList *new, int max_only,
}
}
+
+
}
@@ -365,11 +371,19 @@ static void merge_all(FILE *fh, RefList *model,
refl = next_refl(refl, iter) ) {
double sum_squared_dev = get_sum_squared_dev(refl);
+ double intensity = get_intensity(refl);
int red = get_redundancy(refl);
-
- set_esd_intensity(refl,
- sqrt(sum_squared_dev)/(double)red);
-
+ int h, k, l;
+ get_indices(refl,&h,&k,&l);
+
+ /*
+ set_esd_intensity(refl,
+ sqrt(sum_squared_dev)/(double)red);
+ */
+
+ set_esd_intensity(refl,
+ sqrt((sum_squared_dev/(double)red) - pow(intensity,2.0) )/(double)red);
+
}
}