Commit ad149264 authored by Thomas White's avatar Thomas White
Browse files

Add --sum option to process_hkl for summing rather than averaging

parent 3b43c7d2
......@@ -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);
......
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