diff options
Diffstat (limited to 'src')
| -rw-r--r-- | src/partialator.c | 5 |
1 files changed, 3 insertions, 2 deletions
diff --git a/src/partialator.c b/src/partialator.c index b6050c7f..d3b20890 100644 --- a/src/partialator.c +++ b/src/partialator.c @@ -679,20 +679,21 @@ static void write_specgraph(RefList *full, Crystal *crystal, int in) refl = next_refl(refl, iter) ) { double corr, Ipart, Ifull, pobs, pcalc; - double res, esd; + double res; signed int h, k, l; Reflection *match; get_indices(refl, &h, &k, &l); res = resolution(cell, h, k, l); + /* FIXME Free-flagged reflections only */ + match = find_refl(full, h, k, l); if ( match == NULL ) continue; corr = G * exp(B*res*res) * get_lorentz(refl); Ipart = get_intensity(refl) * corr; Ifull = get_intensity(match); - esd = get_esd_intensity(match); pobs = Ipart / Ifull; pcalc = get_partiality(refl); |