diff options
| author | Thomas White <taw@physics.org> | 2019-05-08 13:26:27 +0200 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2019-05-08 13:26:27 +0200 |
| commit | 6121e26bd0282dadcb0090611cb26aceaac1ed30 (patch) | |
| tree | ac149acefef9e24c48b9c97602b77b91841b79d6 /src | |
| parent | 7a3d0e2bf9d17b8b7dfb81ebe9404d0bb15af87d (diff) | |
check_hkl: Report overall completeness and redundancy
Diffstat (limited to 'src')
| -rw-r--r-- | src/check_hkl.c | 8 |
1 files changed, 7 insertions, 1 deletions
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 <snr> = %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 <snr> = %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", |