From b01de14e096e3ccdb0fb2175cc83b3e4b9fd0554 Mon Sep 17 00:00:00 2001
From: Thomas White <taw@physics.org>
Date: Thu, 14 Jun 2018 11:57:46 +0200
Subject: Add final residual from prediction refinement to stream

---
 libcrystfel/src/predict-refine.c | 8 +++++---
 1 file changed, 5 insertions(+), 3 deletions(-)

(limited to 'libcrystfel/src/predict-refine.c')

diff --git a/libcrystfel/src/predict-refine.c b/libcrystfel/src/predict-refine.c
index 14a60bc7..9062e754 100644
--- a/libcrystfel/src/predict-refine.c
+++ b/libcrystfel/src/predict-refine.c
@@ -556,21 +556,18 @@ static double UNUSED residual(struct reflpeak *rps, int n, struct detector *det)
 	for ( i=0; i<n; i++ ) {
 		r += EXC_WEIGHT * rps[i].Ih * pow(r_dev(&rps[i]), 2.0);
 	}
-	printf("%e ", r);
 	res += r;
 
 	r = 0.0;
 	for ( i=0; i<n; i++ ) {
 		r += pow(x_dev(&rps[i], det), 2.0);
 	}
-	printf("%e ", r);
 	res += r;
 
 	r = 0.0;
 	for ( i=0; i<n; i++ ) {
 		r += pow(y_dev(&rps[i], det), 2.0);
 	}
-	printf("%e\n", r);
 	res += r;
 
 	return res;
@@ -600,6 +597,7 @@ int refine_prediction(struct image *image, Crystal *cr)
 	double total_x = 0.0;
 	double total_y = 0.0;
 	double total_z = 0.0;
+	char tmp[256];
 
 	rps = malloc(image_feature_count(image->features)
 	                       * sizeof(struct reflpeak));
@@ -641,6 +639,10 @@ int refine_prediction(struct image *image, Crystal *cr)
 	}
 	//STATUS("Final residual = %e\n", residual(rps, n, image->det));
 
+	snprintf(tmp, 255, "predict_refine/final_residual = %e",
+	         residual(rps, n, image->det));
+	crystal_add_notes(cr, tmp);
+
 	crystal_set_det_shift(cr, total_x, total_y);
 
 	crystal_set_reflections(cr, NULL);
-- 
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