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| author | Thomas White <taw@physics.org> | 2015-07-22 17:23:30 +0200 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2015-07-23 16:58:52 +0200 |
| commit | ee2c11a10b39210c75a9c9002a83ec0dda95418e (patch) | |
| tree | d1eef5e5db368e3ef3339964a6fa6f280834d3b8 | |
| parent | 54148df6301bf4e1ac7c659fa2aea0e4f9fb68a2 (diff) | |
Add weightings to PR
| -rw-r--r-- | src/post-refinement.c | 4 |
1 files changed, 2 insertions, 2 deletions
diff --git a/src/post-refinement.c b/src/post-refinement.c index a10ee781..517ed6a5 100644 --- a/src/post-refinement.c +++ b/src/post-refinement.c @@ -553,7 +553,7 @@ static double pr_iterate(Crystal *cr, const RefList *full, s = resolution(crystal_get_cell(cr), ha, ka, la); /* Calculate the weight for this reflection */ - w = 1.0; + w = (s/1e9)*(s/1e9) / (esd*esd); /* Calculate all gradients for this reflection */ for ( k=0; k<num_params; k++ ) { @@ -725,7 +725,7 @@ static double residual(Crystal *cr, const RefList *full, int verbose, int free, fx = exp(G)*p*exp(-B*s*s)*I_full/L; dc = I_partial - fx; - w = 1.0; + w = (s/1e9)*(s/1e9)/(esd*esd); dev += w*dc*dc; n_used++; |