diff options
| author | Thomas White <taw@bitwiz.org.uk> | 2010-10-20 21:23:04 -0700 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2012-02-22 15:27:03 +0100 |
| commit | fd96653b66ec76d90f91f2650bee4ee4c261606f (patch) | |
| tree | a23bcd86d1bea872fc891401d00040f7e0c25b31 /src/compare_hkl.c | |
| parent | 1e58bf9d826104178b793a035be763cf54d7b41c (diff) | |
compare_hkl: Fix displayed scale factors
Diffstat (limited to 'src/compare_hkl.c')
| -rw-r--r-- | src/compare_hkl.c | 16 |
1 files changed, 8 insertions, 8 deletions
diff --git a/src/compare_hkl.c b/src/compare_hkl.c index 8da482ae..84759cd7 100644 --- a/src/compare_hkl.c +++ b/src/compare_hkl.c @@ -313,7 +313,7 @@ int main(int argc, char *argv[]) char *bfile = NULL; char *sym = NULL; double scale, scale_r2, scale_rdig, R1, R2, R1i, Rdiff, pearson; - double scale_rintint, scale_r1i; + double scale_rintint, scale_r1i, scale_r1, scale_r1fi; int i, ncom; ReflItemList *i1, *i2, *icommon; int config_shells = 0; @@ -457,23 +457,23 @@ int main(int argc, char *argv[]) STATUS("%i,%i reflections: %i in common\n", num_items(i1), num_items(i2), ncom); - R1 = stat_r1_ignore(ref1, ref2_transformed, icommon, &scale); + R1 = stat_r1_ignore(ref1, ref2_transformed, icommon, &scale_r1fi); STATUS("R1(F) = %5.4f %% (scale=%5.2e) (ignoring negative intensities)\n", - R1*100.0, scale); + R1*100.0, scale_r1fi); - R1 = stat_r1_zero(ref1, ref2_transformed, icommon, &scale); + R1 = stat_r1_zero(ref1, ref2_transformed, icommon, &scale_r1); STATUS("R1(F) = %5.4f %% (scale=%5.2e) (zeroing negative intensities)\n", - R1*100.0, scale); + R1*100.0, scale_r1); R2 = stat_r2(ref1, ref2_transformed, icommon, &scale_r2); STATUS("R2(I) = %5.4f %% (scale=%5.2e)\n", R2*100.0, scale_r2); R1i = stat_r1_i(ref1, ref2_transformed, icommon, &scale_r1i); - STATUS("R1(I) = %5.4f %% (scale=%5.2e)\n", R1i*100.0, scale); + STATUS("R1(I) = %5.4f %% (scale=%5.2e)\n", R1i*100.0, scale_r1i); Rdiff = stat_rdiff_ignore(ref1, ref2_transformed, icommon, &scale_rdig); STATUS("Rint(F) = %5.4f %% (scale=%5.2e) (ignoring negative intensities)\n", - Rdiff*100.0, scale); + Rdiff*100.0, scale_rdig); Rdiff = stat_rdiff_zero(ref1, ref2_transformed, icommon, &scale); STATUS("Rint(F) = %5.4f %% (scale=%5.2e) (zeroing negative intensities)\n", @@ -482,7 +482,7 @@ int main(int argc, char *argv[]) Rdiff = stat_rdiff_intensity(ref1, ref2_transformed, icommon, &scale_rintint); STATUS("Rint(I) = %5.4f %% (scale=%5.2e)\n", - Rdiff*100.0, scale); + Rdiff*100.0, scale_rintint); pearson = stat_pearson_i(ref1, ref2_transformed, icommon); STATUS("Pearson r(I) = %5.4f\n", pearson); |