diff options
| author | Thomas White <taw@physics.org> | 2010-09-24 18:12:08 +0200 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2012-02-22 15:26:59 +0100 |
| commit | 7b3e720829c62b63259b65ede4a4006e4417b32e (patch) | |
| tree | 73a38f55aa85b1d9d6924de9cc4820fe108096df /src | |
| parent | 7e146b3b58eef65e630c082af362342e04eae099 (diff) | |
process_hkl: Add intensity per peak scaling
Diffstat (limited to 'src')
| -rw-r--r-- | src/process_hkl.c | 17 |
1 files changed, 15 insertions, 2 deletions
diff --git a/src/process_hkl.c b/src/process_hkl.c index b9a3fbd6..0df12e75 100644 --- a/src/process_hkl.c +++ b/src/process_hkl.c @@ -307,7 +307,8 @@ static void merge_pattern(double *model, ReflItemList *observed, enum { SCALE_NONE, SCALE_CONSTINT, - SCALE_TWOPASS + SCALE_INTPERBRAGG, + SCALE_TWOPASS, }; @@ -319,7 +320,7 @@ static void scale_intensities(const double *model, ReflItemList *model_items, double top = 0.0; double bot = 0.0; unsigned int i; - const int scaling = SCALE_CONSTINT; + const int scaling = SCALE_INTPERBRAGG; for ( i=0; i<num_items(new_items); i++ ) { @@ -354,6 +355,15 @@ static void scale_intensities(const double *model, ReflItemList *model_items, break; + case SCALE_INTPERBRAGG : + + /* Sum up the intensity in the pattern */ + i2 = lookup_intensity(new_pattern, it->h, it->k, it->l); + top += i2; + bot += 1.0; + + break; + } } @@ -365,6 +375,9 @@ static void scale_intensities(const double *model, ReflItemList *model_items, case SCALE_CONSTINT : s = 1000.0 / top; break; + case SCALE_INTPERBRAGG : + s = 1000.0 / (top/bot); + break; } //if ( f0_valid ) printf("%f %f\n", s, f0); |