Releases: casimp/pyxe
XRD Strain Analysis
XRD Strain Analysis
- Important improvements in the peak fitting routine
- Errors associated with the in-plane strain tensor are recorded
Poisson weighting for peak fit
This is the approach suggested by Withers et al. (doi.org/10.1107/S002188980101411X) and ensures the peak fit error is independent of analysis window width (when the windows width is a minimum of 5-7 times the standard deviation of the peak). Unweighted fit uncertainty tends to (unrealistically) reduce as a function of increasing analysis window width as equal weighting is effectively applied to fitting the background (which is close to 0).
Strain tensor errors
The error in the fit for the in-plane strain tensor is now stored and the RMSE of the strain data to this fit is also calculated and recorded. These are far better estimates of the true measurement error. The error associated with the uncertainty in the peak centre location can be a significant underestimate of the true measurement error - this is particularly true when number of grains illuminated is not large (<1e5).
The strain_tensor_rmse provides a better estimate of the error associated with a single strain value (i.e. at a single azimuthal angle). The strain_tensor_error should be quoted as the measurement error when leveraging the in-plane tensor (recommended). Note that these error are potentially an order of magnitude greater than the simple peak fit error and that the strain tensor appear to reduce uncertainty (relative to a single azimuthal slice) by a factor of 2.
XRD Strain Analysis
v 0.9.1
- Added temperature dependent strain calculations
- Generalised monoI12 module
- Updated docs
- Bug fixes
v 0.9: Large scale breaking changes to all aspects of projects
- Multi peak (Pawley) fitting
- Cleaner interface
- Significant testing
XRD Strain Analysis
Small bug fixes
pyXe: XRD Strain Analysis
- Added recentre, rotate and mask methods
- Extensive refactoring of the extraction and plotting methods
- Now have consistent methods for line and slice extraction for fwhm, peaks, strain and stress
- Mirrored in plotting methods (v old detector/angle plot methods)
- Largely moved away from any EDXD specific terms
- Allowed interaction/plotting of 3D data sets
- Now store fwhm data + associated extraction and plotting methods
- Improved save_to_txt method
pyXe: XRD Strain Analysis
- Updated documentation to reflect package name change.
- Changed version name in preparation for pypi release
pyXe: XRD Strain Analysis
Improvement in stability and testing.
- All plotting functions now work with merged and unmerged data (2D area and EDXD)
- Area analysis implements strain tensor calculation
- Move away from detector specific functionality (i.e. now caked slice or detector)
- Fixed bugs with line plotting
- Integration test now included for 2D EDXD data.
pyXe: XRD Strain Analysis
- Renaming of repo (edi12 to pyXe) to reflect extension of project to area detector analysis
- Restructuring of project and renaming of modules
- Increased compatibility and testing under Python 2.7
Monochromatic XRD!
Start of the widening of the scope of the edi12 package to accommodate diffraction patterns from area detectors.
- Built on pyFAI module
- Analyzed data should leverage same strain_tools.
- Saves analyzed data back to nxs