From 07d1ff916b1731143f3ce7d76e4d1d2a5052a9ca Mon Sep 17 00:00:00 2001 From: Thomas White Date: Tue, 27 Feb 2018 13:42:42 +0100 Subject: Residual and scaling fixes --- src/partialator.c | 19 +++++++------------ 1 file changed, 7 insertions(+), 12 deletions(-) (limited to 'src/partialator.c') diff --git a/src/partialator.c b/src/partialator.c index a72eda50..46a5a25f 100644 --- a/src/partialator.c +++ b/src/partialator.c @@ -1236,6 +1236,13 @@ int main(int argc, char *argv[]) STATUS("Scaling and refinement cycle %i of %i\n", i+1, n_iter); + if ( !no_pr ) { + + r = (reference != NULL) ? reference : full; + refine_all(crystals, n_crystals, r, nthreads, pmodel); + + } + if ( !no_scale ) { if ( reference == NULL ) { @@ -1257,18 +1264,6 @@ int main(int argc, char *argv[]) } } - if ( !no_pr ) { - - r = (reference != NULL) ? reference : full; - refine_all(crystals, n_crystals, r, nthreads, pmodel); - - reflist_free(full); - full = merge_intensities(crystals, n_crystals, nthreads, - pmodel, min_measurements, - push_res, 1); - - } - check_rejection(crystals, n_crystals, full, max_B); reflist_free(full); full = merge_intensities(crystals, n_crystals, nthreads, -- cgit v1.2.3