diff options
| -rw-r--r-- | src/compare_hkl.c | 4 | ||||
| -rw-r--r-- | src/statistics.c | 42 |
2 files changed, 2 insertions, 44 deletions
diff --git a/src/compare_hkl.c b/src/compare_hkl.c index 5f8b79ce..5a490771 100644 --- a/src/compare_hkl.c +++ b/src/compare_hkl.c @@ -53,7 +53,7 @@ int main(int argc, char *argv[]) char *afile = NULL; char *bfile = NULL; char *sym = NULL; - double scale, R1, R2, Rdiff, Riso, pearson; + double scale, R1, R2, Rdiff, pearson; int i, ncom; ReflItemList *i1, *i2, *icommon; @@ -149,8 +149,6 @@ int main(int argc, char *argv[]) STATUS("R2 = %5.4f %% (scale=%5.2e)\n", R2*100.0, scale); Rdiff = stat_rdiff(ref1, ref2_transformed, icommon, &scale); STATUS("Rdiff = %5.4f %% (scale=%5.2e)\n", Rdiff*100.0, scale); - Riso = stat_riso(ref1, ref2_transformed, icommon, &scale); - STATUS("Riso = %5.4f %% (scale=%5.2e)\n", Riso*100.0, scale); pearson = stat_pearson(ref1, ref2_transformed, icommon); STATUS("Pearson r = %5.4f\n", pearson); diff --git a/src/statistics.c b/src/statistics.c index 27b5b8c5..81b84598 100644 --- a/src/statistics.c +++ b/src/statistics.c @@ -35,7 +35,6 @@ enum { R_1, R_2, R_DIFF, - R_ISO }; @@ -198,33 +197,6 @@ static double internal_rdiff(const double *ref1, const double *ref2, } -static double internal_riso(const double *ref1, const double *ref2, - ReflItemList *items, double scale) -{ - double top = 0.0; - double bot = 0.0; - int i; - - for ( i=0; i<num_items(items); i++ ) { - - double i1, i2; - struct refl_item *it; - signed int h, k, l; - - it = get_item(items, i); - h = it->h; k = it->k; l = it->l; - - i1 = lookup_intensity(ref1, h, k, l); - i2 = lookup_intensity(ref2, h, k, l); - - top += fabs(i1 - i2); - bot += fabs(i1 + i2); - - } - - return 2.0*top/bot; -} - static double calc_r(double scale, void *params) { @@ -237,8 +209,6 @@ static double calc_r(double scale, void *params) return internal_r2(rp->ref1, rp->ref2, rp->items, scale); case R_DIFF : return internal_rdiff(rp->ref1, rp->ref2, rp->items, scale); - case R_ISO : - return internal_riso(rp->ref1, rp->ref2, rp->items, scale); } ERROR("No such FoM!\n"); @@ -277,11 +247,8 @@ static double r_minimised(const double *ref1, const double *ref2, case R_DIFF : scale = stat_scale_sqrti(ref1, ref2, items); break; - case R_ISO : - scale = stat_scale_intensity(ref1, ref2, items); - break; } - STATUS("Initial scale factor estimate: %5.2e\n", scale); + //STATUS("Initial scale factor estimate: %5.2e\n", scale); /* Probably within an order of magnitude either side */ gsl_min_fminimizer_set(s, &F, scale, scale/10.0, scale*10.0); @@ -338,13 +305,6 @@ double stat_rdiff(const double *ref1, const double *ref2, } -double stat_riso(const double *ref1, const double *ref2, - ReflItemList *items, double *scalep) -{ - return r_minimised(ref1, ref2, items, scalep, R_ISO); -} - - double stat_pearson(const double *ref1, const double *ref2, ReflItemList *items) { double *vec1, *vec2; |