diff options
| author | Thomas White <taw@physics.org> | 2018-11-22 16:49:49 +0100 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2018-11-22 16:50:32 +0100 |
| commit | 6e9655241ff531b300d38d3e2f5a1e5c7d69f7b3 (patch) | |
| tree | 1ebaec1fbefa11bbb6e8b6ea1fbcdccfaffa6252 /src/merge.c | |
| parent | a166b0ae68b99bea3f2e08cc508a863a0f36073b (diff) | |
Don't weight reflections by partiality in residual
Because we want under-prediction to be penalised just as much as
over-prediction
Diffstat (limited to 'src/merge.c')
| -rw-r--r-- | src/merge.c | 9 |
1 files changed, 3 insertions, 6 deletions
diff --git a/src/merge.c b/src/merge.c index 1aaa272f..787afca3 100644 --- a/src/merge.c +++ b/src/merge.c @@ -368,7 +368,7 @@ double residual(Crystal *cr, const RefList *full, int free, refl != NULL; refl = next_refl(refl, iter) ) { - double p, w, corr, res; + double w, corr, res; signed int h, k, l; Reflection *match; double I_full; @@ -384,13 +384,10 @@ double residual(Crystal *cr, const RefList *full, int free, if ( get_redundancy(match) < 2 ) continue; - p = get_partiality(refl); - //if ( p < 0.2 ) continue; - corr = get_lorentz(refl) / (G * exp(-B*res*res)); int1 = get_intensity(refl) * corr; - int2 = p*I_full; - w = p; + int2 = get_partiality(refl)*I_full; + w = 1.0; num += fabs(int1 - int2) * w; den += fabs(int1 + int2) * w/2.0; |