v1.0.0-rc.172 (#82)
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* Fixed `jfjoch_broker` cancelling every data collection with a CUDA "out of memory" error after long operation: GPU memory no longer leaks with each collection.
* Rugnux scales a rotation sweep until the per-frame scales settle instead of for a fixed three rounds, and says so when they did not - merged intensities, and the space group, resolution cut and frame rejection read off them, change accordingly; `--scaling-iterations` is now the cap on that loop (default 100).
* Rugnux places every frame of a marCCD, SMV or miniCBF series at the spindle angle its own header states, so a series with missing frames, or with angles written modulo 360, is no longer read at the wrong geometry or refused.
* Every rotation run writes two diagnostic files beside its reflections: `<prefix>_detector.jpg`, the detector projection with the pixel mask and the detected beam-stop shadow drawn on it, and `<prefix>_plot.txt`, one row per image.

Reviewed-on: #82
Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
This commit was merged in pull request #82.
This commit is contained in:
2026-09-22 06:48:37 +02:00
committed by leonarski_f
parent 30b6800289
commit 6dfe065365
285 changed files with 12194 additions and 2588 deletions
+2 -1
View File
@@ -303,9 +303,10 @@ CrystalLattice ApplyReindex(const CrystalLattice &latt, const std::optional<std:
return latt.Multiply(gemmi::Mat33(v[0], v[1], v[2], v[3], v[4], v[5], v[6], v[7], v[8]));
}
template <class ReflectionContainer>
bool ReadReflectionsFromGroup(HDF5Object &file,
const std::string &image_group_name,
std::vector<Reflection> &reflections,
ReflectionContainer &reflections,
const std::optional<std::array<int32_t, 9>> &reindex) {
if (!file.Exists("/entry/reflections") || !file.Exists(image_group_name))
return false;