create_merged_reflections: S3 generic to create merged_reflections objects

In jfoadi/cry: Statistics for Structural Crystallography

S3 generic to create merged_reflections objects

Description

The merged_reflections object can be created starting from specific objects, files, etc.

Usage

create_merged_reflections(ruc, ...)

Arguments

ruc	An object used to select a method.
...	Further arguments passed to or from other methods.

Value

mrefs An object of class "merged_reflections". It is a named list of length 4 whose names are:

ruc

An object of class "rec_unit_cell".

csym

An object of class "cryst_symm".

records

A data frame containing the data.

dtypes

A character vector containing the type of data (Miller indices, structure factors, etc).

Examples

# Create a default merged_reflections object (no arguments)
mrefs <- create_merged_reflections()
print(mrefs)

# Create merged_reflections object from symmetry
csym <- cryst_symm("P 3")
mrefs <- create_merged_reflections(csym=csym)
print(mrefs)

jfoadi/cry documentation built on Feb. 3, 2024, 11:48 p.m.