aboutsummaryrefslogtreecommitdiff
diff options
context:
space:
mode:
-rw-r--r--doc/man/process_hkl.16
-rw-r--r--src/process_hkl.c22
2 files changed, 24 insertions, 4 deletions
diff --git a/doc/man/process_hkl.1 b/doc/man/process_hkl.1
index eaf452c7..1b07dc04 100644
--- a/doc/man/process_hkl.1
+++ b/doc/man/process_hkl.1
@@ -104,6 +104,12 @@ all intensities. This is usually not useful.
.PD
Disable the polarisation correction.
+.PD 0
+.IP \fB--min-measurements=\fR\fIn\fR
+.PD
+Include a reflection in the output only if it appears at least least \fIn\fR times. The default is \fB--min-measurements=2\fR.
+
+
.SH CHOICE OF POINT GROUP FOR MERGING
One of the main features of serial crystallography is that the orientations of
diff --git a/src/process_hkl.c b/src/process_hkl.c
index 8048cf45..cf690e9b 100644
--- a/src/process_hkl.c
+++ b/src/process_hkl.c
@@ -74,6 +74,8 @@ static void show_help(const char *s)
" --reference=<file> Compare against intensities from <file> when\n"
" scaling. \n"
" --no-polarisation Disable polarisation correction.\n"
+" --min-measurements=<n> Require at least <n> measurements before a\n"
+" reflection appears in the output. Default: 2\n"
);
}
@@ -264,7 +266,7 @@ static void merge_all(FILE *fh, RefList *model, RefList *reference,
int n_total_patterns,
double *hist_vals, signed int hist_h,
signed int hist_k, signed int hist_l,
- int *hist_i, int config_nopolar)
+ int *hist_i, int config_nopolar, int min_measurements)
{
int rval;
int n_patterns = 0;
@@ -323,7 +325,7 @@ static void merge_all(FILE *fh, RefList *model, RefList *reference,
int red;
red = get_redundancy(refl);
- if ( red == 1 ) {
+ if ( red < min_measurements ) {
set_redundancy(refl, 0);
continue;
}
@@ -365,6 +367,8 @@ int main(int argc, char *argv[])
int space_for_hist = 0;
char *histo_params = NULL;
int config_nopolar = 0;
+ char *rval;
+ int min_measurements = 2;
/* Long options */
const struct option longopts[] = {
@@ -382,6 +386,7 @@ int main(int argc, char *argv[])
{"symmetry", 1, NULL, 'y'},
{"histogram", 1, NULL, 'g'},
{"hist-parameters", 1, NULL, 'z'},
+ {"min-measurements", 1, NULL, 2},
{0, 0, NULL, 0}
};
@@ -423,6 +428,15 @@ int main(int argc, char *argv[])
histo_params = strdup(optarg);
break;
+ case 2 :
+ errno = 0;
+ min_measurements = strtod(optarg, &rval);
+ if ( *rval != '\0' ) {
+ ERROR("Invalid value for --min-measurements.\n");
+ return 1;
+ }
+ break;
+
case 0 :
break;
@@ -514,7 +528,7 @@ int main(int argc, char *argv[])
hist_i = 0;
merge_all(fh, model, NULL, config_startafter, config_stopafter,
sym, n_total_patterns, hist_vals, hist_h, hist_k, hist_l,
- &hist_i, config_nopolar);
+ &hist_i, config_nopolar, min_measurements);
if ( ferror(fh) ) {
ERROR("Stream read error.\n");
return 1;
@@ -538,7 +552,7 @@ int main(int argc, char *argv[])
config_startafter, config_stopafter, sym,
n_total_patterns,
hist_vals, hist_h, hist_k, hist_l, &hist_i,
- config_nopolar);
+ config_nopolar, min_measurements);
if ( ferror(fh) ) {
ERROR("Stream read error.\n");