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-rw-r--r--src/compare_hkl.c2
-rw-r--r--src/get_hkl.c2
-rw-r--r--src/process_hkl.c6
-rw-r--r--src/reflections.c5
-rw-r--r--src/reflections.h3
5 files changed, 10 insertions, 8 deletions
diff --git a/src/compare_hkl.c b/src/compare_hkl.c
index bc224195..bb07d17e 100644
--- a/src/compare_hkl.c
+++ b/src/compare_hkl.c
@@ -149,7 +149,7 @@ int main(int argc, char *argv[])
STATUS("R2 = %5.4f %% (scale=%5.2f)\n", R*100.0, scale);
if ( outfile != NULL ) {
- write_reflections(outfile, NULL, out, 1, cell);
+ write_reflections(outfile, NULL, out, 1, cell, 1);
}
return 0;
diff --git a/src/get_hkl.c b/src/get_hkl.c
index 1b69199f..ae279a8e 100644
--- a/src/get_hkl.c
+++ b/src/get_hkl.c
@@ -230,7 +230,7 @@ int main(int argc, char *argv[])
}
- write_reflections(output, counts, ideal_ref, config_za, mol->cell);
+ write_reflections(output, counts, ideal_ref, config_za, mol->cell, 1);
return 0;
}
diff --git a/src/process_hkl.c b/src/process_hkl.c
index 78c6b1fc..4982961d 100644
--- a/src/process_hkl.c
+++ b/src/process_hkl.c
@@ -168,7 +168,7 @@ static void process_reflections(double *ref, double *trueref,
if ( do_zoneaxis ) {
char name[64];
snprintf(name, 63, "ZA-%u.dat", n_patterns);
- write_reflections(name, counts, ref, 1, cell);
+ write_reflections(name, counts, ref, 1, cell, 1);
}
fh = fopen("results/convergence.dat", "a");
@@ -346,13 +346,13 @@ int main(int argc, char *argv[])
}
if ( output != NULL ) {
- write_reflections(output, counts, ref, 0, cell);
+ write_reflections(output, counts, ref, 0, cell, 1);
}
if ( config_zoneaxis ) {
char name[64];
snprintf(name, 63, "ZA-%u.dat", n_patterns);
- write_reflections(name, counts, ref, 1, cell);
+ write_reflections(name, counts, ref, 1, cell, 10);
}
STATUS("There were %u patterns.\n", n_patterns);
diff --git a/src/reflections.c b/src/reflections.c
index c943d014..b49b4a15 100644
--- a/src/reflections.c
+++ b/src/reflections.c
@@ -22,7 +22,8 @@
void write_reflections(const char *filename, unsigned int *counts,
- double *ref, int zone_axis, UnitCell *cell)
+ double *ref, int zone_axis, UnitCell *cell,
+ unsigned int min_counts)
{
FILE *fh;
signed int h, k, l;
@@ -59,7 +60,7 @@ void write_reflections(const char *filename, unsigned int *counts,
if ( counts ) {
N = lookup_count(counts, h, k, l);
- if ( N == 0 ) continue;
+ if ( N < min_counts ) continue;
} else {
N = 1;
}
diff --git a/src/reflections.h b/src/reflections.h
index 8c513a64..052ddf9f 100644
--- a/src/reflections.h
+++ b/src/reflections.h
@@ -21,7 +21,8 @@
extern void write_reflections(const char *filename, unsigned int *counts,
- double *ref, int zone_axis, UnitCell *cell);
+ double *ref, int zone_axis, UnitCell *cell,
+ unsigned int min_counts);
extern double *read_reflections(const char *filename, unsigned int *counts);