PrivacyScanData/truncate/new2/pyrod-master

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