diff options
| -rw-r--r-- | src/partialator.c | 14 |
1 files changed, 11 insertions, 3 deletions
diff --git a/src/partialator.c b/src/partialator.c index 1a2a2a75..b3717445 100644 --- a/src/partialator.c +++ b/src/partialator.c @@ -703,9 +703,11 @@ static void write_pgraph(RefList *full, Crystal **crystals, int n_crystals, static void all_residuals(Crystal **crystals, int n_crystals, RefList *full, double *presidual, double *pfree_residual, - double *plog_residual, double *pfree_log_residual) + double *plog_residual, double *pfree_log_residual, + int *pn_used) { int i; + int n_used = 0; *presidual = 0.0; *pfree_residual = 0.0; @@ -731,7 +733,11 @@ static void all_residuals(Crystal **crystals, int n_crystals, RefList *full, *pfree_residual += free_r; *plog_residual += log_r; *pfree_log_residual += free_log_r; + + n_used++; } + + *pn_used = n_used; } @@ -739,13 +745,15 @@ static void show_all_residuals(Crystal **crystals, int n_crystals, RefList *full) { double dev, free_dev, log_dev, free_log_dev; + int n; all_residuals(crystals, n_crystals, full, - &dev, &free_dev, &log_dev, &free_log_dev); + &dev, &free_dev, &log_dev, &free_log_dev, &n); STATUS("Residuals:" " linear linear free log log free\n"); STATUS(" "); - STATUS("%15e %15e %15e %15e\n", dev, free_dev, log_dev, free_log_dev); + STATUS("%15e %15e %15e %15e (%i crystals)\n", + dev, free_dev, log_dev, free_log_dev, n); } |