From 10760e1c4ea851b00173d0105a8aa8b22461a52f Mon Sep 17 00:00:00 2001
From: Thomas White <taw@physics.org>
Date: Fri, 17 Feb 2017 15:52:50 +0100
Subject: Minimisation fixes

---
 libcrystfel/src/geometry.c |  2 +-
 src/post-refinement.c      | 10 +++++-----
 2 files changed, 6 insertions(+), 6 deletions(-)

diff --git a/libcrystfel/src/geometry.c b/libcrystfel/src/geometry.c
index 0694169c..43cf25f2 100644
--- a/libcrystfel/src/geometry.c
+++ b/libcrystfel/src/geometry.c
@@ -265,7 +265,7 @@ static Reflection *check_reflection(struct image *image, Crystal *cryst,
 	kmin = 1.0/(image->lambda + image->lambda*image->bw);
 	knom = 1.0/image->lambda;
 	kmax = 1.0/(image->lambda - image->lambda*image->bw);
-	if ( (k1>kmax) || (k0<kmin) ) return NULL;
+	if ( (updateme == NULL) && ((k1>kmax) || (k0<kmin)) ) return NULL;
 
 	/* Calculate excitation error */
 	dcs = distance3d(0.0, 0.0, -knom, xl, yl, zl);
diff --git a/src/post-refinement.c b/src/post-refinement.c
index d1f0be53..ac142ac3 100644
--- a/src/post-refinement.c
+++ b/src/post-refinement.c
@@ -177,24 +177,24 @@ static UnitCell *rotate_cell_xy(const UnitCell *cell, double ang1, double ang2)
 	csx = xnew;  csy = ynew;  csz = znew;
 
 	/* "a" around y */
-	xnew = asx*cos(ang1) + asz*sin(ang2);
+	xnew = asx*cos(ang2) + asz*sin(ang2);
 	ynew = asy;
 	znew = -asx*sin(ang2) + asz*cos(ang2);
 	asx = xnew;  asy = ynew;  asz = znew;
 
 	/* "b" around y */
-	xnew = bsx*cos(ang1) + bsz*sin(ang2);
+	xnew = bsx*cos(ang2) + bsz*sin(ang2);
 	ynew = bsy;
 	znew = -bsx*sin(ang2) + bsz*cos(ang2);
 	bsx = xnew;  bsy = ynew;  bsz = znew;
 
 	/* "c" around y */
-	xnew = csx*cos(ang1) + csz*sin(ang2);
+	xnew = csx*cos(ang2) + csz*sin(ang2);
 	ynew = csy;
 	znew = -csx*sin(ang2) + csz*cos(ang2);
 	csx = xnew;  csy = ynew;  csz = znew;
 
-	cell_set_reciprocal(o, asx, asy, asy, bsx, bsy, bsz, csx, csy, csz);
+	cell_set_reciprocal(o, asx, asy, asz, bsx, bsy, bsz, csx, csy, csz);
 
 	return o;
 }
@@ -346,7 +346,7 @@ static void do_pr_refine(Crystal *cr, const RefList *full,
 			       rad2deg(gsl_vector_get(min->x, 1)), res);
 		}
 
-		status = gsl_multimin_test_size(min->size, 1.0e-8);
+		status = gsl_multimin_test_size(min->size, 1.0e-5);
 
 	} while ( status == GSL_CONTINUE && n_iter < 100 );
 
-- 
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