diff options
Diffstat (limited to 'src/post-refinement.h')
-rw-r--r-- | src/post-refinement.h | 18 |
1 files changed, 16 insertions, 2 deletions
diff --git a/src/post-refinement.h b/src/post-refinement.h index fc72918f..f00a11ec 100644 --- a/src/post-refinement.h +++ b/src/post-refinement.h @@ -47,10 +47,18 @@ struct prdata { int refined; int n_filtered; + + /* Before refinement */ double initial_residual; double initial_free_residual; + double initial_log_residual; + double initial_free_log_residual; + + /* After refinement */ double final_residual; double final_free_residual; + double final_log_residual; + double final_free_log_residual; }; enum prflag @@ -69,8 +77,14 @@ extern const char *str_prflag(enum prflag flag); extern void refine_all(Crystal **crystals, int n_crystals, RefList *full, int nthreads, PartialityModel pmodel, int no_scale, int no_pr, - double *initial_residual, double *initial_free_residual, - double *final_residual, double *final_free_residual); + double *initial_residual, + double *initial_free_residual, + double *initial_log_residual, + double *initial_free_log_residual, + double *final_residual, + double *final_free_residual, + double *final_log_residual, + double *final_free_log_residual); /* Exported so it can be poked by tests/pr_p_gradient_check */ extern double gradient(Crystal *cr, int k, Reflection *refl, |