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| author | Thomas White <taw@physics.org> | 2015-07-23 14:38:36 +0200 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2015-07-23 16:58:52 +0200 |
| commit | cc6ea7ee6804abd10d7739424f93c889db33fc3c (patch) | |
| tree | bd4b60986502ce41694595890fc46acb7dba815a | |
| parent | ee2c11a10b39210c75a9c9002a83ec0dda95418e (diff) | |
Do PR with strong reflections only
| -rw-r--r-- | src/post-refinement.c | 4 |
1 files changed, 4 insertions, 0 deletions
diff --git a/src/post-refinement.c b/src/post-refinement.c index 517ed6a5..83bb0d0e 100644 --- a/src/post-refinement.c +++ b/src/post-refinement.c @@ -552,6 +552,8 @@ static double pr_iterate(Crystal *cr, const RefList *full, esd = get_esd_intensity(refl); s = resolution(crystal_get_cell(cr), ha, ka, la); + if ( I_partial < 3.0*esd ) continue; + /* Calculate the weight for this reflection */ w = (s/1e9)*(s/1e9) / (esd*esd); @@ -723,6 +725,8 @@ static double residual(Crystal *cr, const RefList *full, int verbose, int free, esd = get_esd_intensity(refl); s = resolution(crystal_get_cell(cr), h, k, l); + if ( I_partial < 3.0*esd ) continue; + fx = exp(G)*p*exp(-B*s*s)*I_full/L; dc = I_partial - fx; w = (s/1e9)*(s/1e9)/(esd*esd); |