plot_SHELX | R Documentation |
Plot SHELXC log files
plot_SHELX(filename, filename_e, var, type, title_chart)
filename |
A data frame in output from |
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. |
A graphical object from ggplot2 class that contains the solution founded by SHELX log file.
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
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