aboutsummaryrefslogtreecommitdiff
path: root/src/get_hkl.c
diff options
context:
space:
mode:
Diffstat (limited to 'src/get_hkl.c')
-rw-r--r--src/get_hkl.c25
1 files changed, 24 insertions, 1 deletions
diff --git a/src/get_hkl.c b/src/get_hkl.c
index dba341c6..8a8a71c2 100644
--- a/src/get_hkl.c
+++ b/src/get_hkl.c
@@ -25,6 +25,7 @@
#include "sfac.h"
#include "reflections.h"
#include "symmetry.h"
+#include "beam-parameters.h"
static void show_help(const char *s)
@@ -50,6 +51,7 @@ static void show_help(const char *s)
" --no-phases Do not try to use phases in the input file.\n"
" --multiplicity Multiply intensities by the number of\n"
" equivalent reflections.\n"
+" -b, --beam=<file> Get beam parameters from file (used for sigmas).\n"
);
}
@@ -262,6 +264,8 @@ int main(int argc, char *argv[])
ReflItemList *input_items;
ReflItemList *write_items;
UnitCell *cell = NULL;
+ double adu_per_photon;
+ struct beam_params *beam = NULL;
/* Long options */
const struct option longopts[] = {
@@ -277,6 +281,7 @@ int main(int argc, char *argv[])
{"pdb", 1, NULL, 'p'},
{"no-phases", 0, &config_nophase, 1},
{"multiplicity", 0, &config_multi, 1},
+ {"beam", 1, NULL, 'b'},
{0, 0, NULL, 0}
};
@@ -317,6 +322,15 @@ int main(int argc, char *argv[])
expand = strdup(optarg);
break;
+ case 'b' :
+ beam = get_beam_parameters(optarg);
+ if ( beam == NULL ) {
+ ERROR("Failed to load beam parameters"
+ " from '%s'\n", optarg);
+ return 1;
+ }
+ break;
+
case 0 :
break;
@@ -407,7 +421,16 @@ int main(int argc, char *argv[])
union_items(write_items, input_items);
}
- write_reflections(output, write_items, ideal_ref, phases, NULL, cell);
+ if ( beam == NULL ) {
+ adu_per_photon = 167.0;
+ STATUS("No beam parameters file provided (use -b), "
+ "so I'm assuming 167.0 ADU per photon.\n");
+ } else {
+ adu_per_photon = beam->adu_per_photon;
+ }
+
+ write_reflections(output, write_items, ideal_ref, phases, NULL, cell,
+ adu_per_photon);
delete_items(input_items);
delete_items(write_items);