From 511d35254618675938f3c3cc57768a13db21d9c3 Mon Sep 17 00:00:00 2001 From: Thomas White Date: Tue, 19 May 2015 14:57:20 +0200 Subject: partialator: Show initial and final residuals (including free) --- src/post-refinement.c | 4 ++++ 1 file changed, 4 insertions(+) (limited to 'src/post-refinement.c') diff --git a/src/post-refinement.c b/src/post-refinement.c index 27a74e76..ccf010e2 100644 --- a/src/post-refinement.c +++ b/src/post-refinement.c @@ -562,6 +562,8 @@ struct prdata pr_refine(Crystal *cr, const RefList *full, if ( crystal_get_user_flag(cr) != 0 ) return prdata; old_dev = residual(cr, full, 0, 0); + prdata.initial_free_residual = residual(cr, full, 0, 1); + prdata.initial_residual = old_dev; if ( verbose ) { STATUS("\n"); /* Deal with progress bar */ @@ -602,6 +604,8 @@ struct prdata pr_refine(Crystal *cr, const RefList *full, if ( crystal_get_user_flag(cr) == 0 ) { prdata.refined = 1; } + prdata.final_free_residual = residual(cr, full, 0, 1); + prdata.final_residual = old_dev; if ( verbose ) { STATUS("Final G=%.2f, B=%e\n", crystal_get_osf(cr), -- cgit v1.2.3