Commit be987d83 authored by Ammar Nejati's avatar Ammar Nejati
Browse files

Add change-log for 2021.06.19 to 2021.08.12

parent 2a7a535e
Pipeline #43574 passed with stage
in 3 minutes and 27 seconds
#### [develop] Changes since 2021-06-01T00 until 2021-06-19T00
#### [develop] Changes since 2021-06-19T00 until 2021-08-12T00
* Core:
* Merge and compute R-factors of _found_ peaks only. #285
* Added completeness to saved statistics. #307
* Added per-resolution shell computation of completeness. #137
* Added real-space residual for refining (experimental). #304
* Modified overlap filter criteria to reject colliding intensity regions, instead of colliding intensity/background regions.
* Remove overlapping peaks during integration. #282
* Integration/prediction no longer loops over numors. #300 and #293
* Integration improvements: #314 and #309
- Added several new rejection flags to the integration process, and their respective checks in all integrators.
* NSX new data storage format:
- Introduced the new NSX data storage format v1.0 (Backward-incompatible)
+ The structure of the NSX data storage format is simplified and improved.
+ Removed duplicate code to export/import HDF5 files in order to avoid inconsistencies. Improve the safety and uniformity of the HDF5 importers.
+ Removed the legacy HDF5 reader to have a _single_ data storage format.
+ Removed duplicate instances of HDF5 Blosc-Filter definition. A dedicated module, `HDF5BloscFilter`, is used to avoid resource leaks.
+ Disentangled DataSet and DataReaders to avoid inconsistent states of DataSet depending on the order of execution and data duplication. #262
* Removed boost, ILLDataReader and associated tests. #16 and #279
* Refactored core to avoid code duplication or unused code. #305, #306 and #276
* GUI:
* Added direct beam position to SubframeRefiner; on refinement, the direct beam position pre- and post-refinement will be displayed. #330
* Added a visualisation for the direct beam centre on `DetectorScene`. #283
* Added a simple mechanism to store data on the currently opened datafile. #320
* Added a detector image to `SubframeRefiner`. #329
Upon clicking 'Update peaks' in `DetectorWidget` in `SubframeRefiner`, the predicted peaks collection are cloned locally and the original predicted collection is updated, allowing the user to visually see the effect of refinement on the peak centres.
* Added intensity slider to `DetectorWindow`. #244
* Added controls to GUI to switch between cells from last refinement and cell from autoindexer.
- Unit cell are chosen per batch according to which unit cell is assigned to the most peaks in that batch. #338
- Refiner can now use cells generated from last refinement. #328
* Improved detector masking functionality. #254
* Added frame range to `SubframeMergedPeaks` in order to limit the R-factor calculation to a subset of frames. #193
* Improved `QComboBox` updating via a Sentinel. #272 and #237
* Improved integration: #314 and #309
- Removed some now-redundant counters from ShapeCollection, these are now covered by rejection flags.
- Improved the prediction workflow such that shapes can be assigned to predicted peaks straight after predictions.
- Mosaicity and Beam divergence sigma `QSpinBoxes` allow visualisation of the direct affect of changing them (after integrating and assigning shapes).
* Added subframe 'Integrate'. #262
Decoupled shape collection building and prediction, so that a shape collection is now no longer required to predict peaks. Predicted peaks are discarded at the point of integration if their profiles are invalid.
* Added a mechanism to propagate changes to the parameters consistently to the whole GUI
- Made parameter setting/getting consistent across Subframes. #296
- Parameter values now saved centrally with no duplication, saved across refreshes. #294
* Re-implemented removeExperiment. #260
* Implemented a mechanism to display log messages in a separate window in the GUI. #161
* Added status-bar messages to inform GUI activities.
* Added new sidebar icons for dark and light themes. #287
* Improved GUI safety to avoid crashes. Reduce code duplication.
* GUI:
* Gracefully kill the `DetectorWindow` on `MainWin` shutdown. #239
* Fail gracefully when trying to create a data file to export experiments. #320
* Reset states and batches between refinements to avoid refiner crash when switching residuals between refinements. #324
* Disallow creating peak collection in `SubframeFindPeaks`, when the peaks are not integrated.
* Add a Project to the projects list only if loading the Experiment was successful (to avoid a crash). #262
* Fixed the crash which occured when the refiner was used twice. #334
* Fixed the crash which occured after cancelling the Load experiment action in menu. #323
* Fixed calculate profile in `ShapeCollectionDialog`. #322
* Fixed the incorrect aspect ratio of detector image on first load. #270
* Fixed the crash in merge section when calculate/displaying R-factors for "find" peak collection. #289
* Fixed pixel-sum integrator crash in SubframeIntegrator. #288
* Fixed text colour for light theme sidebar.
* Fixed Qt warnings. #235
### [develop] Changes since 2021-06-01T00 until 2021-06-19T00
......@@ -15,7 +86,13 @@ Added/Changed
* Core:
* Fixed many problems with merge statistics. #280 and #274
- Merge symmetry-related peaks within a set of predicted peaks (instead of merging two peak collections).
- Proper handling of intensities (background and raw) with zero, negative or undefined sigmas.
* GUI:
** Fix SubframeExperiment detector scene to match other subframes. #251
** Fix 'd-min' issue (bisection algorithm). #204, #223
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