From 6121e26bd0282dadcb0090611cb26aceaac1ed30 Mon Sep 17 00:00:00 2001 From: Thomas White Date: Wed, 8 May 2019 13:26:27 +0200 Subject: check_hkl: Report overall completeness and redundancy --- src/check_hkl.c | 8 +++++++- 1 file changed, 7 insertions(+), 1 deletion(-) (limited to 'src') diff --git a/src/check_hkl.c b/src/check_hkl.c index ee5630e7..224ccc00 100644 --- a/src/check_hkl.c +++ b/src/check_hkl.c @@ -528,6 +528,7 @@ static void plot_shells(RefList *list, UnitCell *cell, const SymOpList *sym, add_refl(counted, hs, ks, ls); possible[bin]++; + possible_tot++; } } @@ -620,9 +621,14 @@ static void plot_shells(RefList *list, UnitCell *cell, const SymOpList *sym, } - STATUS("overall = %f\n", snr_total/(double)nrefl); + STATUS("Overall values within specified resolution range:\n"); STATUS("%li measurements in total.\n", nmeastot); STATUS("%li reflections in total.\n", nrefl); + STATUS("%li reflections possible.\n", possible_tot); + STATUS("Overall = %f\n", snr_total/(double)nrefl); + STATUS("Overall redundancy = %f measurements/unique reflection\n", + nmeastot/(double)nrefl); + STATUS("Overall completeness = %f %%\n", 100.0*nrefl/(double)possible_tot); if ( nout ) { STATUS("WARNING; %li reflections outside resolution range.\n", -- cgit v1.2.3