diff options
| author | Thomas White <taw@physics.org> | 2010-08-11 17:14:30 +0200 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2012-02-22 15:26:55 +0100 |
| commit | 7db02796202f8f36ddaa85a0f53633fab9acb274 (patch) | |
| tree | 085963890e3c3409227a56778718b2ae10952982 /src/reflections.c | |
| parent | 395da55d2e5f8a5a0a358e3c2ee49d366a6e1a41 (diff) | |
Placeholder sigma(I)
Diffstat (limited to 'src/reflections.c')
| -rw-r--r-- | src/reflections.c | 10 |
1 files changed, 8 insertions, 2 deletions
diff --git a/src/reflections.c b/src/reflections.c index 0ab7a91e..9a1a2910 100644 --- a/src/reflections.c +++ b/src/reflections.c @@ -52,7 +52,7 @@ void write_reflections(const char *filename, ReflItemList *items, h = it->h; k = it->k; l = it->l; int N; - double intensity, s; + double intensity, s, sigma; char ph[32]; if ( counts ) { @@ -77,9 +77,15 @@ void write_reflections(const char *filename, ReflItemList *items, s = 0.0; } + if ( intensity > 0.0 ) { + sigma = sqrt(intensity); + } else { + sigma = 0.0; + } + /* h, k, l, I, sigma(I), s */ fprintf(fh, "%3i %3i %3i %10.2f %s %10.2f %10.2f %7i\n", - h, k, l, intensity, ph, 0.0, s/1.0e9, N); + h, k, l, intensity, ph, sigma, s/1.0e9, N); } fclose(fh); |