diff options
Diffstat (limited to 'src')
| -rw-r--r-- | src/check_hkl.c | 2 | ||||
| -rw-r--r-- | src/get_hkl.c | 6 | ||||
| -rw-r--r-- | src/process_hkl.c | 6 | ||||
| -rw-r--r-- | src/reflections.c | 6 |
4 files changed, 10 insertions, 10 deletions
diff --git a/src/check_hkl.c b/src/check_hkl.c index 4ab76e43..385c2897 100644 --- a/src/check_hkl.c +++ b/src/check_hkl.c @@ -229,7 +229,7 @@ static void plot_shells(const double *ref, ReflItemList *items, UnitCell *cell, d = resolution(cell, h, k, l) * 2.0; val = lookup_intensity(ref, h, k, l); - esd = lookup_intensity(sigma, h, k, l); + esd = lookup_sigma(sigma, h, k, l); bin = -1; for ( j=0; j<NBINS; j++ ) { diff --git a/src/get_hkl.c b/src/get_hkl.c index db8bd6f3..ba5106ec 100644 --- a/src/get_hkl.c +++ b/src/get_hkl.c @@ -169,14 +169,14 @@ static ReflItemList *twin_reflections(double *ref, ReflItemList *items, } total += lookup_intensity(ref, hu, ku, lu); - sigma += pow(lookup_intensity(esds, hu, ku, lu), 2.0); + sigma += pow(lookup_sigma(esds, hu, ku, lu), 2.0); } if ( !skip ) { set_intensity(ref, h, k, l, total); - set_intensity(esds, h, k, l, sqrt(sigma)); + set_sigma(esds, h, k, l, sqrt(sigma)); add_item(new, h, k, l); } @@ -348,7 +348,7 @@ int main(int argc, char *argv[]) } else { phases = NULL; } - esds = new_list_intensity(); + esds = new_list_sigma(); if ( input == NULL ) { input_items = new_items(); ideal_ref = get_reflections(mol, eV_to_J(1790.0), 1/(0.05e-9), diff --git a/src/process_hkl.c b/src/process_hkl.c index 162b0bd6..689263bb 100644 --- a/src/process_hkl.c +++ b/src/process_hkl.c @@ -791,7 +791,7 @@ int main(int argc, char *argv[]) STATUS("Extra pass to calculate ESDs...\n"); devs = new_list_intensity(); - esds = new_list_intensity(); + esds = new_list_sigma(); rewind(fh); merge_all(fh, &model, &observed, &counts, config_maxonly, config_scale, 0, @@ -815,11 +815,11 @@ int main(int argc, char *argv[]) if ( count < 2 ) { /* If we have only one measurement, the error is 100% */ - esd = lookup_intensity(model, h, k, l); + esd = lookup_sigma(model, h, k, l); } else { esd = sqrt(dev) / (double)count; } - set_intensity(esds, h, k, l, esd); + set_sigma(esds, h, k, l, esd); } diff --git a/src/reflections.c b/src/reflections.c index 98fc9bab..4743aeee 100644 --- a/src/reflections.c +++ b/src/reflections.c @@ -26,7 +26,7 @@ double *poisson_esds(double *intensities, ReflItemList *items, double adu_per_photon) { int i; - double *esds = new_list_intensity(); + double *esds = new_list_sigma(); for ( i=0; i<num_items(items); i++ ) { @@ -45,7 +45,7 @@ double *poisson_esds(double *intensities, ReflItemList *items, sigma = 0.0; } - set_intensity(esds, h, k, l, sigma); + set_sigma(esds, h, k, l, sigma); } @@ -110,7 +110,7 @@ void write_reflections(const char *filename, ReflItemList *items, } if ( esds != NULL ) { - sigma = lookup_intensity(esds, h, k, l); + sigma = lookup_sigma(esds, h, k, l); } else { sigma = 0.0; } |