diff options
| -rw-r--r-- | src/compare_hkl.c | 16 | ||||
| -rw-r--r-- | src/statistics.c | 14 | ||||
| -rw-r--r-- | src/statistics.h | 5 |
3 files changed, 16 insertions, 19 deletions
diff --git a/src/compare_hkl.c b/src/compare_hkl.c index f072644c..e10e9567 100644 --- a/src/compare_hkl.c +++ b/src/compare_hkl.c @@ -137,7 +137,7 @@ int main(int argc, char *argv[]) char *afile = NULL; char *bfile = NULL; char *sym = NULL; - double scale, scale_r2, scale_rint, R1, R2, Rint, Rdiff, pearson; + double scale, scale_r2, R1, R2, R1i, Rdiff, pearson; int i, ncom; ReflItemList *i1, *i2, *icommon; int config_luzzati = 0; @@ -249,25 +249,25 @@ int main(int argc, char *argv[]) num_items(i1), num_items(i2), ncom); R1 = stat_r1_ignore(ref1, ref2_transformed, icommon, &scale); - STATUS("R1 = %5.4f %% (scale=%5.2e) (ignoring negative intensities)\n", + STATUS("R1(F) = %5.4f %% (scale=%5.2e) (ignoring negative intensities)\n", R1*100.0, scale); R1 = stat_r1_zero(ref1, ref2_transformed, icommon, &scale); - STATUS("R1 = %5.4f %% (scale=%5.2e) (zeroing negative intensities)\n", + STATUS("R1(F) = %5.4f %% (scale=%5.2e) (zeroing negative intensities)\n", R1*100.0, scale); R2 = stat_r2(ref1, ref2_transformed, icommon, &scale_r2); - STATUS("R2 = %5.4f %% (scale=%5.2e)\n", R2*100.0, scale_r2); + STATUS("R2(I) = %5.4f %% (scale=%5.2e)\n", R2*100.0, scale_r2); - Rint = stat_rint(ref1, ref2_transformed, icommon, &scale_rint); - STATUS("Rint = %5.4f %% (scale=%5.2e)\n", Rint*100.0, scale_rint); + R1i = stat_r1_i(ref1, ref2_transformed, icommon, &scale); + STATUS("R1(I) = %5.4f %% (scale=%5.2e)\n", R1i*100.0, scale); Rdiff = stat_rdiff_ignore(ref1, ref2_transformed, icommon, &scale); - STATUS("Rdiff = %5.4f %% (scale=%5.2e) (ignoring negative intensities)\n", + STATUS("Rdiff(F) = %5.4f %% (scale=%5.2e) (ignoring negative intensities)\n", Rdiff*100.0, scale); Rdiff = stat_rdiff_zero(ref1, ref2_transformed, icommon, &scale); - STATUS("Rdiff = %5.4f %% (scale=%5.2e) (zeroing negative intensities)\n", + STATUS("Rdiff(F) = %5.4f %% (scale=%5.2e) (zeroing negative intensities)\n", Rdiff*100.0, scale); pearson = stat_pearson_i(ref1, ref2_transformed, icommon); diff --git a/src/statistics.c b/src/statistics.c index a6936798..5b9d3aab 100644 --- a/src/statistics.c +++ b/src/statistics.c @@ -35,7 +35,7 @@ enum { R_1_ZERO, R_1_IGNORE, R_2, - R_INT, + R_1_I, R_DIFF_ZERO, R_DIFF_IGNORE, }; @@ -204,7 +204,7 @@ static double internal_r2(const double *ref1, const double *ref2, } -static double internal_rint(const double *ref1, const double *ref2, +static double internal_r_i(const double *ref1, const double *ref2, ReflItemList *items, double scale) { double top = 0.0; @@ -310,8 +310,8 @@ static double calc_r(double scale, void *params) case R_2 : return internal_r2(rp->ref1, rp->ref2, rp->items, scale); - case R_INT : - return internal_rint(rp->ref1, rp->ref2, rp->items, scale); + case R_1_I : + return internal_r_i(rp->ref1, rp->ref2, rp->items, scale); case R_DIFF_ZERO : return internal_rdiff_negstozero(rp->ref1, rp->ref2, @@ -355,7 +355,7 @@ static double r_minimised(const double *ref1, const double *ref2, scale = stat_scale_sqrti(ref1, ref2, items); break; case R_2 : - case R_INT : + case R_1_I : scale = stat_scale_intensity(ref1, ref2, items); break; } @@ -416,10 +416,10 @@ double stat_r2(const double *ref1, const double *ref2, } -double stat_rint(const double *ref1, const double *ref2, +double stat_r1_i(const double *ref1, const double *ref2, ReflItemList *items, double *scalep) { - return r_minimised(ref1, ref2, items, scalep, R_INT); + return r_minimised(ref1, ref2, items, scalep, R_1_I); } diff --git a/src/statistics.h b/src/statistics.h index a1b99ff7..6a8efb50 100644 --- a/src/statistics.h +++ b/src/statistics.h @@ -30,7 +30,7 @@ extern double stat_r1_ignore(const double *ref1, const double *ref2, extern double stat_r2(const double *ref1, const double *ref2, ReflItemList *items, double *scalep); -extern double stat_rint(const double *ref1, const double *ref2, +extern double stat_r1_i(const double *ref1, const double *ref2, ReflItemList *items, double *scalep); extern double stat_rdiff_zero(const double *ref1, const double *ref2, @@ -38,9 +38,6 @@ extern double stat_rdiff_zero(const double *ref1, const double *ref2, extern double stat_rdiff_ignore(const double *ref1, const double *ref2, ReflItemList *items, double *scalep); -extern double stat_riso(const double *ref1, const double *ref2, - ReflItemList *items, double *scalep); - extern double stat_pearson_i(const double *ref1, const double *ref2, ReflItemList *items); extern double stat_pearson_f_zero(const double *ref1, const double *ref2, |