From 9ec8ebcde8945556ec132836b218e8de9e3bb97c Mon Sep 17 00:00:00 2001 From: leonarski_f Date: Mon, 11 May 2026 13:06:28 +0200 Subject: [PATCH] jfjoch_process: Add space group number handling --- tools/jfjoch_process.cpp | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/tools/jfjoch_process.cpp b/tools/jfjoch_process.cpp index 20e67be5..396c1cb2 100644 --- a/tools/jfjoch_process.cpp +++ b/tools/jfjoch_process.cpp @@ -141,7 +141,7 @@ int main(int argc, char **argv) { bool refine_beam_center = true; bool run_scaling = false; bool anomalous_mode = false; - std::optional space_group_number; + std::optional space_group_number; std::optional fixed_reference_unit_cell; std::optional max_spot_count_override; float sigma_spot_finding = 3.0; @@ -328,6 +328,7 @@ int main(int argc, char **argv) { experiment.OverwriteExistingFiles(true); experiment.PolarizationFactor(0.99); experiment.SetFileWriterFormat(FileWriterFormat::NXmxLegacy); + experiment.SpaceGroupNumber(space_group_number); if (fixed_reference_unit_cell.has_value()) experiment.SetUnitCell(*fixed_reference_unit_cell);