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刘凡 9ff4d1d109 add S3,archive,truncate %!s(int64=2) %!d(string=hai) anos
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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