What's new in xrayutilities 1.4.2
Dec 6, 2017
- Introduce convenience function HKL to convert q-vectors to HKL of materials
- Update outdated information and fix typos in README
- Introduce abstract classes where useful
- Code cleanup (import statements)
- Vastly improved CIF file support with recognition of correct space group and Wyckoff position
- Use AppVeyor.com for Windows testing and binary creation
- Make wavelength handling in PowderDiffraction more flexible
- Fix bug in SiGe alloy class
- Python2 fix for EDFFile which could have failed as described in issue #41
- Fix clear_bit utility function
- Fix float/int conversion in line cut functions for newer numpy
New in xrayutilities 1.1.2 Beta (Apr 27, 2015)
- new webpage theme to allow for easier reading (esp. mobile devices)
- huge set of improvements for working with FastScans (ESRF ID01)
- keep_open option in EDFFile to speed up reading of multiple images
- new convenience function for parsing data from spec-files
- improve peak position finding in area-detector calibration
- added new material AlAs
New in xrayutilities 1.1.1 Beta (Feb 11, 2015)
- PseudoVoigt1dasym function implementing an asymmetric PseudoVoigt peak
- FuzzyGridder1D: improved 1D gridder using a range of value for each data point
- fix memory leak in XRDMLFile by abandoning minidom
- edf-parser improvements: support for multiple images per file
- spec-parser improvements, keep file closed when not parsing it
- peak_fit: linear background feature
- peak_fit function: enhancement of automatic initial parameter determination
- improvements in the Material.environment function (occupancy awareness)
- reciprocal space conversion for goniometers with translation-axis in the detector arms (point, linear, area detectors)
- reciprocal space conversion of energy scans for point, linear, area detectors
- addition of serval test routines to improve the code quality
New in xrayutilities 1.1.0 Beta (Sep 17, 2014)
- new 1D Gridder working consistent with 2D and 3D
- add easy Powder Diffraction cif file parser
- addition of several test routines to improve the code quality
- new mathematical functions in math subpackage
- fixes for possible segfault in the Gridder classes
- considerable reduce size of elements.db file
- FastScan parser for spec-mesh scans and FastScan/kmap data from ESRF
- code-cleanup
- minimal bug-fixes in io (xrdml)
- documentation updates
- add environment function to Materials: function calculates the atomic neighbors around a given position in the unit cell
- documentation update regarding the Q2Ang and Q2AngFit functions
- fixed inconsistency bug in NonCOP and HXRD's Q2Ang function (thanks to FZ)
- SPEC-file parser improvements
- python3.X compatibilty in single code-base
New in xrayutilities 1.0.6 Beta (Apr 17, 2014)
- new way of accessing spec-scans when parsing the spec file
- new: spec scans can be directly accessed with there spec-scan-number
- sequential gridding: usage improvements
- sample displacement error consideration in qconversion (experimental)
- new Q2AngFit function able to fit the goniometer angles or a q-vector
- minor fixes in the CIF file parser
- add workaround for internal coordinate system definition in the experiment
- class
- new getxrdml_scan function to read (multiple) XRDML-files
- fixes for the getxrdml_map function
- add packaging instructions for WIN64
New in xrayutilities 1.0.5 Beta (Feb 11, 2014)
- Documentation updates
- minor compiler warning fixes and small bug fixes (line cut routines, EDF file reading)
- more flexible shape of data arrays for Ang2Q function
- minor improvements of the spec-file parser
- added KeepData option to Gridders in 1,2,3 dimensions (sequential gridding)
- implement possibility to read gzipped, bzipped data files (available for most data file readers)
New in xrayutilities 1.0.4 Beta (Feb 11, 2014)
- bugfix in GID experimental class: qconv argument so far not used correctly!
- enhanced fitting routines
- spec files can now be parsed while gzipped
- CBF file parser for detector images
- compile fixes for Microsoft compilers
- compile fixes on Mac
- new predefined materials (NaCl, FeO, Fe3O4, Co3O4,...)
- some minor bug fixes
New in xrayutilities 1.0.3 Beta (Oct 25, 2013)
- build_doc target for setup.py to help build docs (thanks to F. Picca)
- fix python setup.py --help
- add PseudoVoigt function in 1D
- add Lorentzian peak shape in addition to Gaussian in new function multPeakFit
- some minor bug fixes
New in xrayutilities 1.0.2 Beta (Oct 10, 2013)
- add documentation source to tarball
- generate info file from documentation
- make c extension work with python3, and in general make XU more python3 friendly
- fix bug in SiGe materials lattice_const_AB function
New in xrayutilities 1.0.1 Beta (Oct 10, 2013)
- new way of parsing motor positions and counter values from EDF files
- some fixes and updates in the ID01 example
- added new predefined materials
- new Material method "distances" to calculate atomic distances in the unit cell
- some minor bug-fixes
New in xrayutilities 1.0 Beta (Jul 23, 2013)
- add new example with hotpixelkill variant
- fix unicode string errors on Windows
New in xrayutilities 0.99.2 Beta (Jul 23, 2013)
- fix issue in python-c-extension on Windows
- add new example
- add functions to fit multiple Gaussian to a spectrum
- add tests to released files
New in xrayutilities 0.99.1 Beta (Jul 23, 2013)
- documentation updates
- function analysis.area_detector_calib2 renamed to area_detector_calib_hkl
- added function to remove spikes from 1d data arrays
New in xrayutilities 0.99 Beta (Jul 23, 2013)
- planned to be the initial release on PyPI