Package: crone 0.1.1

James Foadi

crone: Structural Crystallography in 1d

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>.

Authors:James Foadi [cre, aut]

crone_0.1.1.tar.gz
crone_0.1.1.tar.gz(r-4.7-any)crone_0.1.1.tar.gz(r-4.6-any)
crone_0.1.1.tgz(r-4.6-emscripten)
manual.pdf |manual.html✨
DESCRIPTION |NEWS
card.svg |card.png
crone/json (API)

# Install 'crone' in R:
install.packages('crone', repos = c('https://cran.r-universe.dev', 'https://cloud.r-project.org'))
Datasets:
  • anomalous_data - Theoretical scattering factors for all atomic species
  • atoms - Atom names and atomic number

On CRAN:

Conda:

This package does not link to any Github/Gitlab/R-forge repository. No issue tracker or development information is available.

3.63 score 17 scripts 221 downloads 26 exports 0 dependencies

Last updated from:b363670171. Checks:4 OK. Indexed: yes.

TargetResultTimeFilesSyslog
linux-devel-x86_64OK107
source / vignettesOK197
linux-release-x86_64OK106
wasm-releaseOK88

Exports:atom_gausschoose_adiffractionerfexpand_to_cellfluorescent_scanfousynthheavisideinvfousynthkgaussload_anomalous_dataload_dataload_structurelocal_maximaplot_absorption_curvesread_hread_xreduce_to_asuscafacsfobsstandardise_fdatastandardise_sdatastructure_gaussstrufacwrite_hwrite_x

Dependencies:

Anomalous Phasing
Anomalous scattering | The breaking of Friedel's law | Anomalous phasing
Rendered fromtutorial05.Rnwusingknitr::knitr

Last update: 2019-08-24
Started: 2019-07-27

Approximate phases and peak search
Peak search with local_maxima | Peak search when the density come from a correct Fourier synthesis | Correct phases and biased Fourier amplitudes | Biased phases and correct Fourier amplitudes | Biased phases and biased amplitudes
Rendered fromtutorial03.Rnwusingknitr::knitr

Last update: 2019-08-24
Started: 2019-07-27

Calculations for Pinkerton
Pinkerton's structure | Indexing and cell's length determination | The Patterson function | Structure factors and Fourier synthesis | Direct Methods | Refinement
Rendered fromtutorial04.Rnwusingknitr::knitr

Last update: 2019-08-24
Started: 2019-07-27

Play with thiocyanate
Load data related to the structure | Calculate and plot the structure | The calculation of structure factors | Electron density as Fourier synthesis | Load experimental data
Rendered fromtutorial01.Rnwusingknitr::knitr

Last update: 2019-08-24
Started: 2019-07-27

The effects of symmetry
The symmetry of carbon dioxide | The effect of symmetry on the structure factors | A random P crystal structure
Rendered fromtutorial02.Rnwusingknitr::knitr

Last update: 2019-07-27
Started: 2019-07-27