diff options
| author | Thomas White <taw@physics.org> | 2010-02-09 15:08:03 +0100 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2010-02-09 15:08:03 +0100 |
| commit | 89bd4cc23c5ac40dd0060d362f663819a5f4ae22 (patch) | |
| tree | cc5c5813f1d6acbbb1e8cfc728da02050e061404 /src/reflections.c | |
| parent | a122cc94e01bbfb34243d9db5268284a23aed116 (diff) | |
Add resolution to reflection lists
Diffstat (limited to 'src/reflections.c')
| -rw-r--r-- | src/reflections.c | 7 |
1 files changed, 5 insertions, 2 deletions
diff --git a/src/reflections.c b/src/reflections.c index 4379e25f..88b2ab59 100644 --- a/src/reflections.c +++ b/src/reflections.c @@ -53,7 +53,7 @@ void write_reflections(const char *filename, unsigned int *counts, for ( l=-INDMAX; l<INDMAX; l++ ) { int N; - double F; + double F, s; if ( counts ) { N = lookup_count(counts, h, k, l); @@ -65,7 +65,10 @@ void write_reflections(const char *filename, unsigned int *counts, F = lookup_intensity(ref, h, k, l) / N; if ( zone_axis && (l != 0) ) continue; - fprintf(fh, "%3i %3i %3i %f\n", h, k, l, F); + s = resolution(cell, h, k, l); + + /* h, k, l, I, sigma(I), s */ + fprintf(fh, "%3i %3i %3i %f %f %f\n", h, k, l, F, 0.0, s/1.0e9); } } |