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Database to store material information and use it to calculate neutron and x-ray SLDs

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ORSO Scattering Length Density Data Base

https://raw.githubusercontent.com/reflectivity/slddb/master/flaskr/static/orso_db.png

This repository contains the source code for the website https://slddb.esss.dk/slddb/ that provides a facility to calculate neutron and x-ray scattering length densities and store associated material parameters with proper references in a database.

The database can be accessed through a web API programatically. A python package that implements that access is also included here.

License: MIT

Unit testing CodeQL Coverage Level

Features

  • Databse search based on various material characteristics
  • Results show selected and ORSO validated materials with unique ID to be referenced in publications
  • Calculation of neutron and x-ray optical parameters from database entries and manually provided chemical composition and density
  • Magnetic materials
  • Conversion of units
  • Energy dependence of x-ray with interactive selection
  • Table of elements with individual scattering length and form factor values
  • Assembly of protein, DNA and RNA molecules from sequence
  • Interactive deuteration and hydrogen exchange calculations with D2O match point calculation
  • User entry of new materials
  • Import of CIF and FASTA file formats
  • Open evaluation process for most used materials by ORSO

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Database to store material information and use it to calculate neutron and x-ray SLDs

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