刘凡
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README.md
pyrod
Pure python package to analyse CTR (Crystal Truncation Rod) singal
Overview
The pyrod is a pure python package to analyse CTR (Crystal Truncation Rod) singals Perpare intial fitting model for phase recovery algorithm
- Convenient parameters setting
- Organised data base of x-ray diffraction
- Expansibility
- Good fitting degree (R-square > 0.9)
Provide initial data for further phase recovery algorithm
Note: perovskite oxide heterojunction and superlattice structure only!
Directory structure
- 00L.xlsx: example CTR data: 00L rod of LaNiO3 (12 u.c.) / SrTiO3
- parameters.xlsx: parameters setting example
- exceptions: exceptions list of api
- junction: connect XRR and CTR fitting results, generate final result
- data (dir): optimised XRR, CTR and connection data. Serialized by pickle
- base (dir): data base of atomic mass, atomic scattering factor and atomic form factor
- read (dir): initialize parameters and raw data. (parameters_xxxx.xlsx and xxL_xxxxx.xlsx)
- tool (dir): variables control methods and built-in algorithm
- apply (dir): api of XRR and CTR fitting
Feedback
- Your comments are always welcome! We would like to expand our api for your CTR system!
- Any comments or cooperation, please contact: Han Xu xuhan@mail.ustc.edu.cn
Release History
- beta version