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Default two-pass rotation indexing to 100 first-pass images (was 30)

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A larger first-pass image set gives a more stable consensus lattice and so
better per-frame prediction. On HEWL crystal 2 (full 360 deg) this lifts the
anomalous S-peak height vs XDS from 0.57x to 0.61x and ISa from 10.5 to 11.0,
at negligible cost (the first pass is a small fraction of the run). ~100 is the
sweet spot; more (300) does not help further.

Co-Authored-By: Claude Opus 4.8 <noreply@anthropic.com>
This commit is contained in:
leonarski_f
2026-06-25 20:43:04 +02:00
co-authored by Claude Opus 4.8
parent 8d0cd19e48
commit a37613690e
2 changed files with 3 additions and 3 deletions
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process/JFJochProcess.h
+1 -1
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@@ -46,7 +46,7 @@ struct ProcessConfig {
bool rotation_indexing = false;
bool two_pass_rotation = true;
bool reuse_rotation_spots = true;
int rotation_indexing_image_count = 30;
int rotation_indexing_image_count = 100;
std::optional<CrystalLattice> forced_rotation_lattice;
// Scaling / merging (FullAnalysis). reference_data (from a reference MTZ) also drives the
tools/jfjoch_process.cpp
+2 -2
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@@ -37,7 +37,7 @@ void print_usage() {
std::cout << std::endl;
std::cout << " Indexing" << std::endl;
std::cout << " -R, --two-pass-rotation[=num] Two-pass offline rotation indexing (optional: number of images, default: 30)" << std::endl;
std::cout << " -R, --two-pass-rotation[=num] Two-pass offline rotation indexing (optional: number of images, default: 100)" << std::endl;
std::cout << " --single-pass-rotation[=num] Use online-like single-pass rotation indexing (optional: min angular range deg)" << std::endl;
std::cout << " --redo-rotation-spots Redo spot finding for two-pass rotation indexing" << std::endl;
std::cout << " --force-rotation-lattice <vec> Force rotation indexer with external lattice (in Angstrom) : \"a0x,a0y,a0z,a1x,a1y,a1z,a2x,a2y,a2z\" (9 floats, skips first pass)" << std::endl;
@@ -274,7 +274,7 @@ int main(int argc, char **argv) {
bool rotation_indexing = false;
bool two_pass_rotation = true;
bool reuse_rotation_spots = true;
int rotation_indexing_image_count = 30;
int rotation_indexing_image_count = 100;
std::optional<float> rotation_indexing_range;
bool run_scaling = false;
bool global_scaling = false;