# Structural Crystallography in 1d

## Documentation for package ‘crone’ version 0.1.1

- DESCRIPTION file.
- User guides, package vignettes and other documentation.

## Help Pages

anomalous_data | Theoretical scattering factors for all atomic species
atoms | Atom names and atomic number
atom_gauss | Gaussian atom
choose_a | Suggests unit cell side, a, based on atom content
diffraction | Simulation of 1D diffraction pattern
erf | Error function for real values
expand_to_cell | Expand content of asymmetric unit to whole unit cell
fluorescent_scan | Find optimal wavelength for anomalous phasing
fousynth | From structure factors to density using Fourier synthesis
heaviside | Heaviside function (step function)
invfousynth | From density to structure factors using inverse Fourier synthesis
kgauss | Constant normalizing wrapped gaussian
load_anomalous_data | Load anomalous data for a specific chemical element
load_data | Load observed structure factors from 1D structure data in workspace.
load_structure | Load 1D structure data in workspace.
local_maxima | Find local maxima in a vector of real values.
plot_absorption_curves | Plot of absorption curves
read_h | Read data from a reflections file
read_x | Read unit cell content (atom and coordinates).
reduce_to_asu | Reduce content of unit cell to asymmetric unit.
scafac | Scattering factor for 1D gaussian atoms
sfobs | Generation of structure factors with errors
standardise_fdata | Standardise reflections data
standardise_sdata | Organise atom data in a standard format for later use
structure_gauss | Structure of gaussian atoms
strufac | Calculation of structure factors
write_h | Write structure factors to a reflections file
write_x | Write atomic coordinates to a file.