XDSAPP3 - Release notes
XDSAPP3 Version 1.4b (2021-07-26)
- bug in preferences fixed. xdsapp3 crashed when menu preferences was used before any other action.
XDSAPP3 Version 1.4 (2021-07-05)
- Important: if "RAW_DATA" is part of an image file path and node in xdsenv.hosts results will be stored in a corresponding subdirectory in PROCESSED_DATA: /home/my/RAW_DATA/sub1/sub1 -> /home/my/PROCESSED_DATA/sub1/sub1
- The data selection window will now remember the last visited directory
- In command line mode, options --image and --dir now recognises ~ (tilde) as home directory.
- Changed the color code in the plots: red is always the current plot, blue is the previous plot.
- A warning window will open if "!!! ERROR !!! INSUFFICIENT PERCENTAGE" in XDS output.
- A new preference added: "Save intermediate XDS.INP". If selected, all XDS.INP files with time stamp will be saved in a subdirectory 'xdsinp_debug' (useful for debugging).
- README file updated (tip to LC_ALL valid for all operating systems).
- In xdsenv.py, clarified info to Albula API, info to HZB specific settings.
- A rare bug in writing files fixed.
- A bug in loading data in GUI mode fixed.
- A bug in setting DIRECTION_OF_DETECTOR_X-AXIS in XDS.INP fixed
- A bug fixed when refined detector distance after an unsuccessful indexing was not set
- A bug in XDS_from_H5.py in setting the rotation axis fixed (for Eiger data).
XDSAPP3 Version 1.3 (2021-04-20)
- Improved data selection window, now displays data file list, but not selectable.
- New Help menu entry: Check for updates
- New option --auto: prefix "auto_" to result files <project>.mtz, etc, may be useful in scripted autoprocessing.
- Changed option --database [username], accepts a username to write this into the database (only for HZB use).
XDSAPP3 Version 1.2 (2021-04-12)
- New data selection dialog
- Fixed a bug in CORRECT_last_table view.
XDSAPP3 Version 1.1 (2021-03-15)
- In xdsenv.py new entry hosts, this defines special local settings (see README).
- Command line option --image accepts absolute and relative path names.
XDSAPP3 Version 1.0 (2021-03-01)
- New code basis: Python 3.6+, PyQt5, Matplotlib.
- Dectris Eiger detectors are supported (suffix ".h5"). To read Eiger data files, it is strongly recommended to use the XDS plugins dectris-neggia or durin-plugin (DLS) in combination with generate_XDS.INP. It is also possible to use the Dectris Python API or the converter eiger2cbf, but this is not recommended.
- The setup file xdsenv.py has additional sections, performance parameters like number of cpus or processes can be pre-determined here. See comments in the file itself.
- In the CORRECT plots tab, plots for I/SigI, CC1/2, R_meas, SigAno, AnoCor, and Completeness can be displayed with x-axis as "Resolution" or "1/R2", this can be chosen in the Preferences menu.
- XDSAPP3 can be used in a command line mode without the dependencies on PyQt5 and Matplotlib (useful for integration in scripted data analysis).
- New selection "CORRECT Completenes & Quality" in the "Logfiles and pictures" tab, showing only the last table from the CORRECT run.
- New Help menu in the GUI.
- The overall program stability has been improved.