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jfjoch_process: Fix

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leonarski_f
2026-02-08 19:29:00 +01:00
parent 69ebbed8fb
commit 58f29409e6
1 changed files with 2 additions and 7 deletions
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9
tools/jfjoch_process.cpp
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@@ -428,16 +428,11 @@ int main(int argc, char **argv) {
// --- French-Wilson: convert I → F ---
{
// Build d-spacings vector parallel to merged
std::vector<double> d_spacings(scale_result->merged.size());
for (size_t i = 0; i < scale_result->merged.size(); ++i)
d_spacings[i] = scale_result->merged[i].d;
FrenchWilsonOptions fw_opts;
fw_opts.acentric = true; // typical for MX
fw_opts.num_bins = 20;
fw_opts.num_shells = 20;
auto fw = FrenchWilson(scale_result->merged, d_spacings, fw_opts);
auto fw = FrenchWilson(scale_result->merged, fw_opts);
const std::string fw_path = output_prefix + "_amplitudes.hkl";
std::ofstream fw_file(fw_path);