Description Usage Arguments Value Examples

Function to load structure factors corresponding to one of the many 1D
structures available within the *crone* package. The structure
factors amplitudes have been generated from calculated data with some
simulated error, so that they mimic observed data. Phases are calculated
from the correct structure.

1 |

`sname` |
A character string. Name of the structure whose data are to be loaded in the workspace. It can be one of: beryllium_fluoride carbon_dioxide cyanate nitronium thiocyanate xenon_difluoride pinkerton2015
Default is NULL, in which case the function returns a list of all structures available. |

A named fdata-type list with the following elements:

a Real numeric. Unit cell length in angstroms. Always included.

SG. Spacegroup 2-letters character string. There are only two symmetries possible when working within 1D crystallography, P1 (no symmetry) and P-1 (inversion through the origin). SG can be either "P1" or "P-1". Always included.

hidx. Real numeric array. 1D unique (positive in the 1D context) Miller indices. Always included.

Fobs. Real numeric array. Amplitudes of observed structure factors. Not always included.

sigFobs. Real numeric array. Errors associated with Fobs. Not always included.

Phicalc. Real numeric array. Phases (in degrees) of structure factors calculated from the correct 1D structure. They are normally used to check correctness of Phiobs. Not always included.

1 2 3 4 5 6 |

Embedding an R snippet on your website

Add the following code to your website.

For more information on customizing the embed code, read Embedding Snippets.