From 63111bd3c29a20657f301601330acf70b3de42a1 Mon Sep 17 00:00:00 2001 From: Thomas White Date: Wed, 30 Aug 2023 17:14:21 +0200 Subject: Add excitation error to Millepede data (local-only measurement) --- libcrystfel/src/crystfel-mille.c | 7 +++++++ 1 file changed, 7 insertions(+) (limited to 'libcrystfel/src/crystfel-mille.c') diff --git a/libcrystfel/src/crystfel-mille.c b/libcrystfel/src/crystfel-mille.c index fd957693..6a80e323 100644 --- a/libcrystfel/src/crystfel-mille.c +++ b/libcrystfel/src/crystfel-mille.c @@ -186,6 +186,7 @@ void write_mille(Mille *mille, int n, UnitCell *cell, float local_gradients_fs[nl]; float local_gradients_ss[nl]; + float local_gradients_r[nl]; float global_gradients_fs[ng*max_hierarchy_levels]; float global_gradients_ss[ng*max_hierarchy_levels]; int labels[ng*max_hierarchy_levels]; @@ -199,6 +200,8 @@ void write_mille(Mille *mille, int n, UnitCell *cell, Minvs[rps[i].peak->pn], 0, 0, 0, &local_gradients_fs[j], &local_gradients_ss[j]); + local_gradients_r[j] = EXC_WEIGHT * r_gradient(rvl[j], rps[i].refl, + cell, image->lambda); } /* Global gradients for each hierarchy level, starting at the @@ -243,6 +246,10 @@ void write_mille(Mille *mille, int n, UnitCell *cell, nl, local_gradients_ss, j, global_gradients_ss, labels, ss_dev(&rps[i], image->detgeom), 0.22); + + /* Add excitation error "measurement" (local-only) */ + mille_add_measurement(mille, nl, local_gradients_r, + 0, NULL, NULL, r_dev(&rps[i])*EXC_WEIGHT, 1.0); } } -- cgit v1.2.3