Plot SHELXC log files

Usage

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

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.

Value

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

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