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Environmental Cheminformatics
shinyscreen
Commits
ce4cb758
Commit
ce4cb758
authored
Jul 31, 2019
by
Jessy Krier
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Presc.shiny prescreening part
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ce4cb758
#+TITLE: The Shinyscreen Package
#+TITLE: The Shinyscreen Package
* Usage
* Usage
** Prescreening
** Prescreening
with presc.plot
1. Generate prescreening data frames,
1. Generate prescreening data frames,
#+BEGIN_SRC R
#+BEGIN_SRC R
presc.do(list.files(path="~/ECI_SCRATCH/20190627_HEROBER",patt=".*.mzML",full.names=T),
presc.do(list.files(path="~/ECI_SCRATCH/20190627_HEROBER",patt=".*.mzML",full.names=T),
...
@@ -13,11 +14,26 @@
...
@@ -13,11 +14,26 @@
argument.
argument.
2. Plot,
2. Plot,
#+BEGIN_SRC R
#+BEGIN_SRC R
require(
rmbmix
)
require(
shinyscreen
)
presc.plot(list.files(".",patt="2.*POS",include.dirs=T),mode="pH",cex=0.7,rt_digits=2,m_digits=4,pal="Dark2",out="prescreen.pdf")
presc.plot(list.files(".",patt="2.*POS",include.dirs=T),mode="pH",cex=0.7,rt_digits=2,m_digits=4,pal="Dark2",out="prescreen.pdf")
#+END_SRC
#+END_SRC
The only argument is a sequence of absolute paths to directories
The only argument is a sequence of absolute paths to directories
containing the prescreen data. The resulting plot file is going
containing the prescreen data. The resulting plot file is going
to be placed into the current working directory.
to be placed into the current working directory.
** Prescreening with presc.shiny
1. Same as above
2. To start the _Shiny_ prescreening, do
#+BEGIN_SRC R
require(shinyscreen)
df<- data.frame(Files=rep("file.mzML",15),ID=1:15,tag=rep(c(15,30,45),5),set_name="Collision Energy")
This dataframe is the input that has to be introduced in order
to have all the information from the data.
pos_wds <- list.files(".",patt=".*2019.*_[49][35]$",include.dirs=T,full.names=T)
This is an example of using the POS data (pH).
presc.shiny(pos_wds,mode="pH",cex=1,prescdf=df)
The arguments which need to be put into the presc.shiny are
pos_wds (as an example), the mode (pH or mH), cex as a font size
and prescdf=df to get the information into the shiny part.
#+END_SRC
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