v1.0.0-rc.166 (#76)

* `rugnux --mode calibration` writes `<prefix>.json` beside the `.poni`, whose `dataset_settings` member is a `jfjoch_broker` `dataset_settings` body as it stands.
* `rugnux` and `jfjoch_viewer` read PILATUS miniCBF sweeps natively, without conversion.
* Masters written by other facilities open, including Eiger 1.x and third-party NXmx variants.
* `rugnux` measures the beam centre on every run, and indexes with it when the file's value indexes nothing.
* A detector swung out on a 2theta arm is placed where the file says it stands, and the calibration can hold the tilt fixed.
* `rugnux` writes the unmerged MTZ by default, and a P1 merge beside it, so a wrong space group can be re-merged without reprocessing.
* Significant improvements to symmetry handling in `rugnux`: the lattice, the point group, the setting and the systematic absences.
* The `rugnux` report gives the resolution the CC1/2 fit reached, beside the range the reflections were written to.
* The `rugnux` report gives the twinning statistics measured before the space group was decided, beside the ones measured after.
* The `rugnux` report gives the strong-direction diffraction limit, and warns when CC1/2 is not monotone with resolution.
* `rugnux` ranks screw axes on the evidence their absences carry, rather than on how many control reflections a candidate happens to have.
* Twinning is no longer reported when the L-test contradicts it.
* The `rugnux` report gives the detector tilt, the measured tilt and the direct beam beside the beam centre, and a post-refined beam centre is judged against the run's own measurement rather than the file's.
* `--no-refine-tilt` holds the detector tilt at the value in the file, instead of zeroing it, when the calibration starts from the spots.
* The `jfjoch_viewer` grid scan view draws the cells in the proportion of the scan steps, so the map has the shape of the scanned area.

Reviewed-on: #76
Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>

image_analysis/indexing/IndexerThreadPool.cpp

@@ -150,8 +150,12 @@ void IndexerThread::Worker(int threadid) {
                 indexer.Setup(input->experiment);
                 tmp_result = std::make_unique<IndexerResult>(indexer.Run(input->recip));
             } catch (std::exception &e) {
-                tmp_result = nullptr;
+                // Hand the failure back as a result carrying the reason. A nullptr here was
+                // indistinguishable from a worker that was never dispatched, and both then read
+                // downstream as "this frame did not index".
                 spdlog::error("Indexer thread {} failed: {}", threadid, e.what());
+                tmp_result = std::make_unique<IndexerResult>(IndexerResult{
+                        .lattice = {}, .indexing_time_s = 0, .executed = false, .error = e.what()});
             }
             {
                 std::unique_lock<std::mutex> lock(m);
@@ -284,7 +288,8 @@ IndexerResult IndexerThreadPool::Run(const DiffractionExperiment &experiment, co
             result = tasks[task]->Run(experiment, recip);
         } catch (const std::exception &e) {
             spdlog::error("Indexer thread failed: {}", e.what());
-            result = nullptr;
+            result = std::make_unique<IndexerResult>(IndexerResult{
+                    .lattice = {}, .indexing_time_s = 0, .executed = false, .error = e.what()});
         }
         {
             std::unique_lock<std::mutex> lock(m);
@@ -295,5 +300,7 @@ IndexerResult IndexerThreadPool::Run(const DiffractionExperiment &experiment, co
     }
     if (result)
         return *result;
+    // No free worker, or the pool is stopping: indexing was not attempted. Distinct from both a
+    // frame that did not index and an indexer that failed, and left without an error for that reason.
     return IndexerResult{.lattice = {}, .indexing_time_s = 0};
 }