load_data: Load observed structure factors from 1D structure data in...

Description Usage Arguments Value Examples

View source: R/io.R

Description

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 mimick observed data. Phases are calculated from the correct structure.

Usage

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load_data(sname = NULL)

Arguments

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

Default is NULL, in which case the function returns a list of all structures available.

Value

A named fdata-type list with the following elements:

Examples

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# Load thiocyanate data
fdata <- load_data("thiocyanate")
print(fdata)

# Default returns all names of structures included
load_data()

jfoadi/crone documentation built on May 17, 2017, 7:19 p.m.