Published March 6, 2020
| Version March 6, 2020
Software
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Automated Python Script for the Microfibril Angle Calculation from 2D Wide-angle X-ray Diffraction Data from Wood
Description
These scripts allow calculating the microfibril angle from 2D Wide-angle x-ray diffraction data.
In the first script ("conv_2Dto1DAz_v3-6-2020.py") the detector images are read using the FabIO library [1] and transformed into polar images. The polar images are then azimuthally averaged around the region of interest, in this case, the 200 diffraction peak to obtain a 1D azimuthal profile.
In the second script ("Gpk_MFAcalc-2DpyAzv4.py"), the 1D profile is then corrected for background contributions, and fitted with three Gaussian peaks to obtain the microfibril angle of the wood sample. [2]
The scripts are written in Python 3 and depend on the following libraries: FabIO, numpy, matplotlib, pandas and lmfit.
Files
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Additional details
References
- FabIO: easy access to two-dimensional X-ray detector images in Python; E. B. Knudsen, H. O. Sørensen, J. P. Wright, G. Goret and J. Kieffer Journal of Applied Crystallography, Volume 46, Part 2, pages 537-539.
- Newville, Matthew, Stensitzki, Till, Allen, Daniel B., & Ingargiola, Antonino. (2014, September 21). LMFIT: Non-Linear Least-Square Minimization and Curve-Fitting for Python (Version 0.8.0). Zenodo. http://doi.org/10.5281/zenodo.11813