diff options
| -rw-r--r-- | src/process_hkl.c | 12 |
1 files changed, 11 insertions, 1 deletions
diff --git a/src/process_hkl.c b/src/process_hkl.c index 89d79a78..0a4db33d 100644 --- a/src/process_hkl.c +++ b/src/process_hkl.c @@ -51,6 +51,10 @@ static void show_help(const char *s) " analysis only after reading all the patterns.\n" " --no-analyse Don't perform any kind of analysis, just merge the\n" " intensities.\n" +" --sum Sum (rather than average) the intensities for the\n" +" final output list. This is useful for comparing\n" +" results to radially summed powder patterns, but\n" +" will break R-factor analysis.\n" " -r, --rvsq Output lists of R vs |q| (\"Luzzatti plots\") when\n" " analysing figures of merit.\n" " --stop-after=<n> Stop after processing n patterns. Zero means\n" @@ -190,6 +194,7 @@ int main(int argc, char *argv[]) int config_stopafter = 0; int config_zoneaxis = 0; int config_noanalyse = 0; + int config_sum = 0; /* Long options */ const struct option longopts[] = { @@ -202,6 +207,7 @@ int main(int argc, char *argv[]) {"rvsq", 0, NULL, 'r'}, {"stop-after", 1, NULL, 's'}, {"zone-axis", 0, &config_zoneaxis, 1}, + {"sum", 0, &config_sum, 1}, {0, 0, NULL, 0} }; @@ -309,7 +315,11 @@ int main(int argc, char *argv[]) if ( !config_maxonly ) { integrate_intensity(ref, h, k, l, intensity); - integrate_count(counts, h, k, l, 1); + if ( config_sum ) { + set_count(counts, h, k, l, 1); + } else { + integrate_count(counts, h, k, l, 1); + } } else { if ( intensity > lookup_intensity(ref, h, k, l) ) { set_intensity(ref, h, k, l, intensity); |