read_h: Read data from a reflections file

Description Usage Arguments Value Examples

View source: R/io.R

Description

Read data from a *_h.dat-type file containing cell size, spacegroup symbol and amplitudes and/or phases of observed and/or calculated structure factors. This function loads the file data into a standardised named list for structure factors data.

Usage

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read_h(filename)

Arguments

filename

A character string. Existing file that includes structure factors information. The file name in general has the form "[prefix]_h.dat".

Value

A named list with the following elements:

Examples

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# Observed structure factors amplitudes and calculated phases
# from thiocyanate structure
datadir <- system.file("extdata",package="crone")
filename <- file.path(datadir,"thiocyanate_h.dat")
fdata <- read_x(filename)
print(names(fdata))
print(fdata$Fobs)
print(fdata$sigFobs)

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