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| author | Thomas White <taw@physics.org> | 2018-01-23 15:51:29 +0100 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2018-02-27 17:12:42 +0100 |
| commit | 9c39baa5285e816bf90a1094cbfa3f00b257e473 (patch) | |
| tree | 009cd03f1cba671bc08672b18cfbd745e9847389 | |
| parent | 355b072fe7925d62e264e62d4f188a6371f4136c (diff) | |
Tidy up
| -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); |