# (1) An example from data published by Larras et al. 2020
# in Journal of Hazardous Materials
# https://doi.org/10.1016/j.jhazmat.2020.122727
# a dataframe with metabolomic results (output $res of bmdcalc() or bmdboot() functions)
resfilename <- system.file("extdata", "triclosanSVmetabres.txt", package="DRomics")
res <- read.table(resfilename, header = TRUE, stringsAsFactors = TRUE)
str(res)
# a dataframe with annotation of each item identified in the previous file
# each item may have more than one annotation (-> more than one line)
annotfilename <- system.file("extdata", "triclosanSVmetabannot.txt", package="DRomics")
annot <- read.table(annotfilename, header = TRUE, stringsAsFactors = TRUE)
str(annot)
# Merging of both previous dataframes
# in order to obtain an extenderes dataframe
# bootstrap results and annotation
annotres <- merge(x = res, y = annot, by.x = "id", by.y = "metab.code")
head(annotres)
### an ECDFplot of 25th quantiles of BMD-zSD calculated by pathway
sensitivityplot(annotres, BMDtype = "zSD",
group = "path_class",
BMDsummary = "first.quartile")
# \donttest{
# same plot in raw BMD scale (so not in log scale)
sensitivityplot(annotres, BMDtype = "zSD",
group = "path_class",
BMDsummary = "first.quartile",
BMD_log_transfo = FALSE)
### Plot of 25th quantiles of BMD-zSD calculated by pathway
### in the order of the levels as defined in the group input
levels(annotres$path_class)
sensitivityplot(annotres, BMDtype = "zSD",
group = "path_class", ECDF_plot = FALSE,
BMDsummary = "first.quartile")
### an ECDFplot of medians of BMD-zSD calculated by pathway
sensitivityplot(annotres, BMDtype = "zSD",
group = "path_class",
BMDsummary = "median")
### an ECDFplot of medians of BMD-zSD calculated by pathway
### with addition of interquartile ranges (IQRs)
sensitivityplot(annotres, BMDtype = "zSD",
group = "path_class",
BMDsummary = "median.and.IQR")
### The same plot playing with graphical parameters
sensitivityplot(annotres, BMDtype = "zSD",
group = "path_class",
BMDsummary = "median.and.IQR",
line.size = 1.5, line.alpha = 0.4, point.alpha = 1)
# (2)
# An example with two molecular levels
#
### Rename metabolomic results
metabextendedres <- annotres
# Import the dataframe with transcriptomic results
contigresfilename <- system.file("extdata", "triclosanSVcontigres.txt", package = "DRomics")
contigres <- read.table(contigresfilename, header = TRUE, stringsAsFactors = TRUE)
str(contigres)
# Import the dataframe with functional annotation (or any other descriptor/category
# you want to use, here KEGG pathway classes)
contigannotfilename <- system.file("extdata", "triclosanSVcontigannot.txt", package = "DRomics")
contigannot <- read.table(contigannotfilename, header = TRUE, stringsAsFactors = TRUE)
str(contigannot)
# Merging of both previous dataframes
contigextendedres <- merge(x = contigres, y = contigannot, by.x = "id", by.y = "contig")
# to see the structure of this dataframe
str(contigextendedres)
### Merge metabolomic and transcriptomic results
extendedres <- rbind(metabextendedres, contigextendedres)
extendedres$molecular.level <- factor(c(rep("metabolites", nrow(metabextendedres)),
rep("contigs", nrow(contigextendedres))))
str(extendedres)
### Plot of 25th quantiles of BMD-zSD calculated by pathway
### and colored by molecular level
# optional inverse alphabetic ordering of groups for the plot
extendedres$path_class <- factor(extendedres$path_class,
levels = sort(levels(extendedres$path_class),
decreasing = TRUE))
sensitivityplot(extendedres, BMDtype = "zSD",
group = "path_class", colorby = "molecular.level",
BMDsummary = "first.quartile")
### Plot of medians and IQRs of BMD-zSD calculated by pathway
### and colored by molecular level
sensitivityplot(extendedres, BMDtype = "zSD",
group = "path_class", colorby = "molecular.level",
BMDsummary = "median.and.IQR",
line.size = 1.2, line.alpha = 0.4,
point.alpha = 0.8)
# }
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