anomalous_data

This dataset is a list where each element is an atomic species.
Each element of the list is a dataframe with 3 columns.

datasets

Functions to carry out the most important crystallographic calculations for crystal
structures made of 1d Gaussian-shaped atoms, especially useful for methods development.
Main reference: E. Smith, G. Evans, J. Foadi (2017) <doi:10.1088/1361-6404/aa8188>.

James Foadi

crone

Structural Crystallography in 1d

anomalous_data function

A list whose elements are dataframes corresponding to atomic
 elements. Each dataframe has the following columns:<dl class="dl-horizontal">
 <dt>lambda</dt><dd>Specific value of wavelength in angstroms.</dd>
 <dt>f1</dt><dd>Real scattering component.</dd>
 <dt>f2</dt><dd>Imaginary scattering component.</dd>
</dl>

Format

Theoretical scattering factors for all atomic species — anomalous_data

A list whose elements are dataframes corresponding to atomic
 elements. Each dataframe has the following columns:<dl class='dl-horizontal'>
 <dt>lambda</dt><dd>Specific value of wavelength in angstroms.</dd>
 <dt>f1</dt><dd>Real scattering component.</dd>
 <dt>f2</dt><dd>Imaginary scattering component.</dd>
</dl>

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anomalous_data: Theoretical scattering factors for all atomic species

Description

Usage

Arguments

Format