From dd9e5a75e115cd5b630d8dac2f6af8fc344f5ad6 Mon Sep 17 00:00:00 2001
From: Thomas White <taw@physics.org>
Date: Thu, 5 Sep 2019 16:35:14 +0200
Subject: partialator: Correct polarisation after update_predictions()

Polarisation correction needs kpred values.
---
 src/partialator.c | 9 ++++++---
 1 file changed, 6 insertions(+), 3 deletions(-)

(limited to 'src/partialator.c')

diff --git a/src/partialator.c b/src/partialator.c
index e92a80ac..2b5a235c 100644
--- a/src/partialator.c
+++ b/src/partialator.c
@@ -1437,9 +1437,6 @@ int main(int argc, char *argv[])
 
 			cr_refl = apply_max_adu(cr_refl, max_adu);
 
-			polarisation_correction(cr_refl, crystal_get_cell(cr),
-			                        polarisation);
-
 			if ( !no_free ) select_free_reflections(cr_refl, rng);
 
 			as = asymmetric_indices(cr_refl, sym);
@@ -1479,8 +1476,14 @@ int main(int argc, char *argv[])
 
 	STATUS("Initial partiality calculation...\n");
 	for ( i=0; i<n_crystals; i++ ) {
+
 		Crystal *cr = crystals[i];
 		update_predictions(cr);
+
+		/* Polarisation correction requires kpred values */
+		polarisation_correction(crystal_get_reflections(cr),
+		                        crystal_get_cell(cr), polarisation);
+
 		calculate_partialities(cr, pmodel);
 	}
 
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