From 58f29409e60ec947950df2d86d4502b71be2d218 Mon Sep 17 00:00:00 2001 From: Filip Leonarski Date: Sun, 8 Feb 2026 19:29:00 +0100 Subject: [PATCH] jfjoch_process: Fix --- tools/jfjoch_process.cpp | 9 ++------- 1 file changed, 2 insertions(+), 7 deletions(-) diff --git a/tools/jfjoch_process.cpp b/tools/jfjoch_process.cpp index 303aeed7..1f5fdf78 100644 --- a/tools/jfjoch_process.cpp +++ b/tools/jfjoch_process.cpp @@ -428,16 +428,11 @@ int main(int argc, char **argv) { // --- French-Wilson: convert I → F --- { - // Build d-spacings vector parallel to merged - std::vector 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);