diff options
| author | Thomas White <taw@physics.org> | 2018-11-30 17:25:36 +0100 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2018-11-30 17:25:36 +0100 |
| commit | 4859c44d35f7c71f39237b716090eb086c134795 (patch) | |
| tree | f0c13de8a13c7396ed283f8dbfdfba2eb74894cf /src/post-refinement.c | |
| parent | 74ab5c23fc621de174106d8a9f3a161d6ec70edc (diff) | |
| parent | a977dfd051fb0483cf27693fc8e950c99e7c88ed (diff) | |
Merge branch 'tom/partials'
Diffstat (limited to 'src/post-refinement.c')
| -rw-r--r-- | src/post-refinement.c | 5 |
1 files changed, 2 insertions, 3 deletions
diff --git a/src/post-refinement.c b/src/post-refinement.c index 0a799b9e..b1af92db 100644 --- a/src/post-refinement.c +++ b/src/post-refinement.c @@ -559,7 +559,7 @@ void write_specgraph(Crystal *crystal, const RefList *full, refl != NULL; refl = next_refl(refl, iter) ) { - double corr, Ipart, Ifull, pobs, pcalc; + double Ipart, Ifull, pobs, pcalc; double res; signed int h, k, l; Reflection *match; @@ -573,8 +573,7 @@ void write_specgraph(Crystal *crystal, const RefList *full, /* Don't calculate pobs if reference reflection is weak */ if ( fabs(get_intensity(match)) / get_esd_intensity(match) < 3.0 ) continue; - corr = G * exp(B*res*res) * get_lorentz(refl); - Ipart = get_intensity(refl) * corr; + Ipart = correct_reflection_nopart(refl, G, B, res); Ifull = get_intensity(match); pobs = Ipart / Ifull; pcalc = get_partiality(refl); |