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authorThomas White <taw@physics.org>2015-04-23 17:53:46 +0200
committerThomas White <taw@physics.org>2015-04-28 14:47:19 +0200
commitd691aab6972fb2d7d97ca532644ac402d647b8c6 (patch)
tree78194aac5dd4edaedaa68bf8b9f002c8b2bc79f3
parent3524a781545149f4f27edcd1e402a7c896a926ec (diff)
Show residuals
-rw-r--r--src/predict-refine.c4
1 files changed, 4 insertions, 0 deletions
diff --git a/src/predict-refine.c b/src/predict-refine.c
index b2cd2ea6..5265a770 100644
--- a/src/predict-refine.c
+++ b/src/predict-refine.c
@@ -727,12 +727,16 @@ int refine_prediction(struct image *image, Crystal *cr)
rps[i].Ih = rps[i].peak->intensity / max_I;
}
+ STATUS("Initial residual = %e\n", residual(rps, n, image->det));
+
/* Refine */
for ( i=0; i<MAX_CYCLES; i++ ) {
update_partialities(cr, PMODEL_SCSPHERE);
if ( iterate(rps, n, crystal_get_cell(cr), image,
&total_x, &total_y, &total_z) ) return 1;
+ STATUS("Residual after %i = %e\n", i, residual(rps, n, image->det));
}
+ STATUS("Final residual = %e\n", residual(rps, n, image->det));
snprintf(tmp, 1024, "predict_refine/det_shift x = %.3f y = %.3f mm\n"
"predict_refine/clen_shift = %.3f mm",