Skip to content
GitLab
Explore
Sign in
Primary navigation
Search or go to…
Project
R
RMassBank_by_MaliRemorker
Manage
Activity
Members
Labels
Plan
Issues
Issue boards
Milestones
Iterations
Wiki
Requirements
External wiki
Code
Merge requests
Repository
Branches
Commits
Tags
Repository graph
Compare revisions
Snippets
Locked files
Build
Pipelines
Jobs
Pipeline schedules
Test cases
Artifacts
Deploy
Releases
Package Registry
Container Registry
Model registry
Operate
Environments
Terraform modules
Monitor
Incidents
Service Desk
Analyze
Value stream analytics
Contributor analytics
CI/CD analytics
Repository analytics
Code review analytics
Issue analytics
Insights
Model experiments
Help
Help
Support
GitLab documentation
Compare GitLab plans
Community forum
Contribute to GitLab
Provide feedback
Keyboard shortcuts
?
Snippets
Groups
Projects
Show more breadcrumbs
Environmental Cheminformatics
RMassBank_by_MaliRemorker
Commits
87e5a919
Commit
87e5a919
authored
10 years ago
by
Steffen Neumann
Browse files
Options
Downloads
Patches
Plain Diff
Fix some roxygen annotations
parent
1a2c2b6b
No related branches found
Branches containing commit
No related tags found
No related merge requests found
Changes
3
Hide whitespace changes
Inline
Side-by-side
Showing
3 changed files
R/leMsmsRaw.R
+14
-5
14 additions, 5 deletions
R/leMsmsRaw.R
man/mbWorkspace-class.Rd
+43
-37
43 additions, 37 deletions
man/mbWorkspace-class.Rd
man/msmsWorkspace-class.Rd
+43
-41
43 additions, 41 deletions
man/msmsWorkspace-class.Rd
with
100 additions
and
83 deletions
R/leMsmsRaw.R
+
14
−
5
View file @
87e5a919
## For generating the NAMESPACE
#' @import mzR
#' @import mzR
#' @importClassesFrom mzR
# # importClassesFrom mzR ## Causes error
#' @importMethodsFrom mzR
# # importMethodsFrom mzR
#' @import Rcpp ## Was not in manually written NAMESPACE ?
#' @import RCurl
#' @import XML
#' @import methods
#' @import mzR
#' @import rcdk
#' @import rjson
#' @import yaml
NULL
# This is required so that roxygen knows where the first manpage starts
NULL
# This is required so that roxygen knows where the first manpage starts
#' Extract MS/MS spectra for specified precursor
#' Extract MS/MS spectra for specified precursor
...
@@ -15,7 +24,7 @@ NULL # This is required so that roxygen knows where the first manpage starts
...
@@ -15,7 +24,7 @@ NULL # This is required so that roxygen knows where the first manpage starts
#' is a low-level function which uses the mass directly for lookup and is intended for
#' is a low-level function which uses the mass directly for lookup and is intended for
#' use as a standalone function in unrelated applications.
#' use as a standalone function in unrelated applications.
#'
#'
#' @
U
sage findMsMsHR(fileName, cpdID, mode="pH",confirmMode =0, useRtLimit = TRUE,
#' @
u
sage findMsMsHR(fileName, cpdID, mode="pH",confirmMode =0, useRtLimit = TRUE,
#' ppmFine = getOption("RMassBank")$findMsMsRawSettings$ppmFine,
#' ppmFine = getOption("RMassBank")$findMsMsRawSettings$ppmFine,
#' mzCoarse = getOption("RMassBank")$findMsMsRawSettings$mzCoarse,
#' mzCoarse = getOption("RMassBank")$findMsMsRawSettings$mzCoarse,
#' fillPrecursorScan = getOption("RMassBank")$findMsMsRawSettings$fillPrecursorScan,
#' fillPrecursorScan = getOption("RMassBank")$findMsMsRawSettings$fillPrecursorScan,
...
@@ -700,7 +709,7 @@ addMB <- function(w, cpdID, fileName, mode){
...
@@ -700,7 +709,7 @@ addMB <- function(w, cpdID, fileName, mode){
#' @examples \dontrun{
#' @examples \dontrun{
#' c.msmsWSspecs(w1,w2)
#' c.msmsWSspecs(w1,w2)
#' }
#' }
#'export
#'
@
export
c.msmsWSspecs
<-
function
(
w1
=
NA
,
w2
=
NA
){
c.msmsWSspecs
<-
function
(
w1
=
NA
,
w2
=
NA
){
if
(
class
(
w1
)
!=
"msmsWorkspace"
||
class
(
w2
)
!=
"msmsWorkspace"
){
if
(
class
(
w1
)
!=
"msmsWorkspace"
||
class
(
w2
)
!=
"msmsWorkspace"
){
...
@@ -737,4 +746,4 @@ c.msmsWSspecs <- function(w1 = NA, w2 = NA){
...
@@ -737,4 +746,4 @@ c.msmsWSspecs <- function(w1 = NA, w2 = NA){
}
}
}
}
return
(
w1
)
return
(
w1
)
}
}
\ No newline at end of file
This diff is collapsed.
Click to expand it.
man/mbWorkspace-class.Rd
+
43
−
37
View file @
87e5a919
\docType{class}
% Generated by roxygen2 (4.1.0): do not edit by hand
\name{mbWorkspace-class}
% Please edit documentation in R/RmbWorkspace.R
\alias{mbWorkspace-class}
\docType{class}
\alias{show,mbWorkspace-method}
\name{mbWorkspace-class}
\title{Workspace for \code{mbWorkflow} data}
\alias{mbWorkspace-class}
\description{
\alias{show,mbWorkspace-method}
A workspace which stores input and output data for use
\title{Workspace for \code{mbWorkflow} data}
with \code{mbWorkflow}.
\description{
}
A workspace which stores input and output data for use with \code{mbWorkflow}.
\details{
Slots: \describe{ \item{aggregatedRcSpecs,
refilteredRcSpecs}{The corresponding input data from
}
\code{\link{msmsWorkspace-class}}}
\details{
\item{additionalPeaks}{A list of additional peaks which
Slots:
can be loaded using \code{\link{addPeaks}}.}
\describe{
\item{mbdata, mbdata_archive, mbdata_relisted}{Infolist
\item{aggregatedRcSpecs, refilteredRcSpecs}{The corresponding
data: Data for annotation of MassBank records, which can
input data from \code{\link{msmsWorkspace-class}}}
be loaded using \code{\link{loadInfolists}}.}
\item{additionalPeaks}{A list of additional peaks which can be loaded
\item{compiled, compiled_ok}{ Compiled tree-structured
using \code{\link{addPeaks}}.}
MassBank records. \code{compiled_ok} contains only the
\item{mbdata, mbdata_archive, mbdata_relisted}{Infolist data: Data for
compounds with at least one valid spectrum.}
annotation of MassBank records, which can be loaded using
\item{mbfiles}{Compiled MassBank records in text
\code{\link{loadInfolists}}.}
representation.} \item{molfile}{MOL files with the
\item{compiled, compiled_ok}{
compound structures.} \item{ok,problems}{Index lists for
Compiled tree-structured MassBank records. \code{compiled_ok} contains
internal use which denote which compounds have valid
only the compounds with at least one valid spectrum.}
spectra.} }
\item{mbfiles}{Compiled MassBank records in text representation.}
\item{molfile}{MOL files with the compound structures.}
Methods: \describe{ \item{show}{Shows a brief summary of
\item{ok,problems}{Index lists for internal use which denote which compounds
the object. Currently only a stub.} }
have valid spectra.}
}
}
\author{
Michael Stravs, Eawag <michael.stravs@eawag.ch>
Methods:
}
\describe{
\seealso{
\item{show}{Shows a brief summary of the object. Currently only a stub.}
\code{\link{mbWorkflow}}
}
}
}
\author{
Michael Stravs, Eawag <michael.stravs@eawag.ch>
}
\seealso{
\code{\link{mbWorkflow}}
}
This diff is collapsed.
Click to expand it.
man/msmsWorkspace-class.Rd
+
43
−
41
View file @
87e5a919
\docType{class}
% Generated by roxygen2 (4.1.0): do not edit by hand
\name{msmsWorkspace-class}
% Please edit documentation in R/RmbWorkspace.R
\alias{msmsWorkspace-class}
\docType{class}
\alias{show,msmsWorkspace-method}
\name{msmsWorkspace-class}
\title{Workspace for \code{msmsWorkflow} data}
\alias{msmsWorkspace-class}
\description{
\alias{show,msmsWorkspace-method}
A workspace which stores input and output data for
\title{Workspace for \code{msmsWorkflow} data}
\code{\link{msmsWorkflow}}.
\description{
}
A workspace which stores input and output data for \code{\link{msmsWorkflow}}.
\details{
}
Slots:
\details{
Slots:
\describe{ \item{files}{The input file names}
\item{specs}{The spectra extracted from the raw files}
\describe{
\item{analyzedSpecs}{The spectra with annotated peaks
\item{files}{The input file names}
after workflow step 2.} \item{aggregatedSpecs}{The
\item{specs}{The spectra extracted from the raw files}
\code{analyzedSpec} data regrouped and aggregated, after
\item{analyzedSpecs}{The spectra with annotated peaks after workflow step 2.}
workflow step 3.} \item{rc, rc.ms1}{The recalibration
\item{aggregatedSpecs}{The \code{analyzedSpec} data regrouped and aggregated,
curves generated in workflow step 4.}
after workflow step 3.}
\item{recalibratedSpecs}{The spectra from \code{specs}
\item{rc, rc.ms1}{The recalibration curves generated in workflow step 4.}
recalibrated with the curves from \code{rc, rc,ms1}.}
\item{recalibratedSpecs}{The spectra from \code{specs} recalibrated with the curves
\item{analyzedRcSpecs}{The recalibrated spectra with
from \code{rc, rc,ms1}.}
annotated peaks after workflow step 5.}
\item{analyzedRcSpecs}{The recalibrated spectra with annotated peaks after
\item{aggregatedRcSpecs}{The \code{analyzedRcSpec} data
workflow step 5.}
regrouped and aggregated, after workflow step 6.}
\item{aggregatedRcSpecs}{The \code{analyzedRcSpec} data regrouped and aggregated,
\item{reanalyzedRcSpecs}{The regrouped and aggregated
after workflow step 6.}
spectra, with added reanalyzed peaks (after step 7, see
\item{reanalyzedRcSpecs}{The regrouped and aggregated spectra, with added reanalyzed
\code{\link{reanalyzeFailpeaks}}).}
peaks (after step 7, see \code{\link{reanalyzeFailpeaks}}).}
\item{refilteredRcSpecs}{Final data to use for MassBank
\item{refilteredRcSpecs}{Final data to use for MassBank record creation after
record creation after multiplicity filtering (step 8).} }
multiplicity filtering (step 8).}
}
Methods: \describe{ \item{show}{Shows a brief summary of
the object. Currently only the included files.} }
Methods: \describe{
}
\item{show}{Shows a brief summary of the object. Currently only the included files.}
\author{
}
Michael Stravs, Eawag <michael.stravs@eawag.ch>
}
}
\author{
\seealso{
Michael Stravs, Eawag <michael.stravs@eawag.ch>
\code{\link{msmsWorkflow}}
}
}
\seealso{
\code{\link{msmsWorkflow}}
}
This diff is collapsed.
Click to expand it.
Preview
0%
Loading
Try again
or
attach a new file
.
Cancel
You are about to add
0
people
to the discussion. Proceed with caution.
Finish editing this message first!
Save comment
Cancel
Please
register
or
sign in
to comment