cry (version 0.5.2)

plot_SHELX: Plot SHELXC log files

Description

Plot SHELXC log files

Usage

plot_SHELX(filename, filename_e, var, type, title_chart)

Value

A graphical object from ggplot2 class that contains the solution founded by SHELX log file.

Arguments

filename

A data frame in output from {read_SHELX_log}.

filename_e

A data frame with the inverted hand from shelxe

var

the variable to be plotted vs the resolution

type

indicate the type of file, possible value are "shelxc", "shelxd" and "shelxe".

title_chart

title of the chart.

Examples

datadir <- system.file("extdata",package="cry")
## SHELXC
shelxc_log <- file.path(datadir,"shelxc.log")
shelxc <- read_SHELX_log(shelxc_log)
plot_shelxc <- plot_SHELX(filename = shelxc, var = shelxc$I_sig,
type = "shelxc", title_chart = "SHELXC")
plot_shelxc
## SHELXD
shelxd_log <- file.path(datadir,"shelxd.log")
shelxd <- read_SHELX_log(shelxd_log)
plot_shelxd <- plot_SHELX(filename = shelxd, type = "shelxd",
title_chart = "SHELXD")
plot_shelxd
## SHELXE
filename_i <- file.path(datadir,"shelxe_i.log")
shelxe_i <- read_SHELX_log(filename_i)
filename_o <- file.path(datadir,"shelxe_o.log")
shelxe_o <- read_SHELX_log(filename_o)
plot_shelxe <- plot_SHELX(filename = shelxe_i,
filename_e = shelxe_o, type = "shelxe", title_chart = "SHELXE")
plot_shelxe