diff options
| author | Thomas White <taw@physics.org> | 2015-09-07 13:51:51 +0200 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2015-09-07 13:51:51 +0200 |
| commit | 95c89499a52cedc76a496b7f73f2c6ba573ffb0e (patch) | |
| tree | df1ea98544e033dfc75f454ebbd1d1ace245f677 /src/partialator.c | |
| parent | 6aeb5402080162c0d0ada81404e1ef025e295099 (diff) | |
partialator: Clarity about log vs non-log residuals
Diffstat (limited to 'src/partialator.c')
| -rw-r--r-- | src/partialator.c | 13 |
1 files changed, 11 insertions, 2 deletions
diff --git a/src/partialator.c b/src/partialator.c index 079d4d46..5032296f 100644 --- a/src/partialator.c +++ b/src/partialator.c @@ -991,19 +991,28 @@ int main(int argc, char *argv[]) for ( i=0; i<n_iter; i++ ) { double init_dev, init_free_dev; + double init_log_dev, init_free_log_dev; double final_dev, final_free_dev; + double final_log_dev, final_free_log_dev; STATUS("Refinement cycle %i of %i\n", i+1, n_iter); /* Refine all crystals to get the best fit */ refine_all(crystals, n_crystals, full, nthreads, pmodel, - no_scale, no_pr, &init_dev, &init_free_dev, - &final_dev, &final_free_dev); + no_scale, no_pr, + &init_dev, &init_free_dev, + &init_log_dev, &init_free_log_dev, + &final_dev, &final_free_dev, + &final_log_dev, &final_free_log_dev); STATUS("Overall residual: initial = %e, final = %e\n", init_dev, final_dev); STATUS("Overall free residual: initial = %e, final = %e\n", init_free_dev, final_free_dev); + STATUS("Overall log residual: initial = %e, final = %e\n", + init_log_dev, final_log_dev); + STATUS("Overall log free residual: initial = %e, final = %e\n", + init_free_log_dev, final_free_log_dev); check_rejection(crystals, n_crystals, full, max_B); normalise_scales(crystals, n_crystals); |