======================================== ORSO Scattering Length Density Data Base

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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 <https://raw.githubusercontent.com/reflectivity/slddb/master/LICENSE>_

.. image:: https://github.com/reflectivity/slddb/actions/workflows/pytest.yml/badge.svg :target: https://github.com/reflectivity/slddb/actions/workflows/pytest.yml :alt: Unit testing

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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 D\ :sub:2\ O match point calculation
• User entry of new materials
• Import of CIF and FASTA file formats
• Open evaluation process for most used materials by ORSO