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remove mentions of mzData
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lgatto committed Feb 24, 2024
1 parent a3ad6fa commit 5f50097
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8 changes: 4 additions & 4 deletions DESCRIPTION
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Package: mzR
Type: Package
Title: parser for netCDF, mzXML, mzData and mzML and mzIdentML files
Title: parser for netCDF, mzXML and mzML and mzIdentML files
(mass spectrometry data)
Version: 2.37.1
Version: 2.37.2
Author: Bernd Fischer, Steffen Neumann, Laurent Gatto, Qiang Kou, Johannes Rainer
Authors@R: c(
person("Steffen", "Neumann", email="[email protected]", role=c("aut","cre")),
Expand All @@ -12,8 +12,8 @@ Authors@R: c(
)
Description: mzR provides a unified API to the common file formats and
parsers available for mass spectrometry data. It comes with a
subset of the proteowizard library for mzXML, mzML and mzIdentML. The netCDF
reading code has previously been used in XCMS.
subset of the proteowizard library for mzXML, mzML and mzIdentML.
The netCDF reading code has previously been used in XCMS.
License: Artistic-2.0
LazyLoad: yes
Depends:
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5 changes: 5 additions & 0 deletions NEWS
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CHANGES IN VERSION 2.37.2
-------------------------
o remove mentions of mzData in the DESCRIPTION, vignette and manual
files (support dropped in 2.29.3)

CHANGES IN VERSION 2.37.1
-------------------------
o fix compilation on centOS 7 / R-4.3.1 reported in #286
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5 changes: 2 additions & 3 deletions man/mzR-class.Rd
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Expand Up @@ -59,8 +59,7 @@

The sub-classes implement specific APIs to access the underlying data
and metadata in the files. Currently \code{mzRpwiz} is available.
\code{mzRpwiz} uses
Proteowizard to access the relevant information in \code{mzData},
\code{mzRpwiz} uses Proteowizard to access the relevant information in
\code{mzXML} and \code{mzML} files. \code{mzRident} is used as an
interface to \code{mzIdentML} files.

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library(msdata)
filepath <- system.file("microtofq", package = "msdata")
file <- list.files(filepath, pattern="MM14.mzML",
full.names=TRUE, recursive = TRUE)
full.names=TRUE, recursive = TRUE)
mzml <- openMSfile(file)
close(mzml)

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10 changes: 5 additions & 5 deletions man/openMSfile.Rd
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Expand Up @@ -5,20 +5,20 @@
\alias{openIDfile}

\title{
Create and check mzR objects from netCDF, mzXML, mzData or mzML files.
Create and check mzR objects from netCDF, mzXML or mzML files.
}
\usage{
openMSfile(filename, backend = NULL, verbose = FALSE)

isInitialized(object)

fileName(object, ...)

openIDfile(filename, verbose = FALSE)
}
\arguments{
\item{filename}{
Path name of the netCDF, mzData, mzXML or mzML file to
Path name of the netCDF, mzXML or mzML file to
read/write.
}
\item{backend}{
Expand All @@ -38,7 +38,7 @@
\code{mzR} object, open 'filename' file and all header information is
loaded as a Rcpp module and made accessible through the \code{pwiz}
slot of the resulting object.

The \code{openIDfile} constructor will create a new format-specifc
\code{mzR} object, open 'filename' file and all information is
loaded as a Rcpp module. The mzid format is supported throught
Expand All @@ -65,7 +65,7 @@
mz <- openMSfile(file, backend = "pwiz")
mz
}

file <- system.file("mzid", "Tandem.mzid.gz", package="msdata")
mzid <- openIDfile(file)
softwareInfo(mzid)
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2 changes: 1 addition & 1 deletion src/RcppIdentModule.cpp
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Expand Up @@ -9,7 +9,7 @@ RCPP_MODULE(Ident)

class_<RcppIdent>( "Ident" )
.constructor("Initialises a new Rccp ident object.")
.method( "open", &RcppIdent::open, "Opens a mass spec file (mzXML, mzData, etc.) and creates a pwiz object" )
.method( "open", &RcppIdent::open, "Opens a mass spec file (mzXML, mzML, etc.) and creates a pwiz object" )
.method( "getIDInfo", &RcppIdent::getIDInfo, "Basic information about this mzid files" )
.method( "getPsmInfo", &RcppIdent::getPsmInfo, "Basic information about this mzid files" )
.method( "getModInfo", &RcppIdent::getModInfo, "Modification information about this mzid files" )
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6 changes: 3 additions & 3 deletions src/RcppPwizModule.cpp
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Expand Up @@ -9,9 +9,9 @@ RCPP_MODULE(Pwiz)

class_<RcppPwiz>( "Pwiz" )
.constructor("Initialises a new Rccp pwiz object.")
.method( "open", &RcppPwiz::open, "Opens a mass spec file (mzXML, mzData, etc.) and creates a pwiz object" )
.method( "close", &RcppPwiz::close, "Close the connection to a mass spec file (mzXML, mzData, etc.)." )
// .method( "writeMSfile", &RcppPwiz::writeMSfile, "Write a pwiz object into files (mzXML, mzData, etc.)" )
.method( "open", &RcppPwiz::open, "Opens a mass spec file (mzXML, mzML, etc.) and creates a pwiz object" )
.method( "close", &RcppPwiz::close, "Close the connection to a mass spec file (mzXML, mzML, etc.)." )
// .method( "writeMSfile", &RcppPwiz::writeMSfile, "Write a pwiz object into files (mzXML, etc.)" )
.method( "writeSpectrumList", &RcppPwiz::writeSpectrumList, "Write the spectrum list to an mzML file." )
.method( "copyWriteMSfile", &RcppPwiz::copyWriteMSfile, "Copy general content from the originalting MS file, add the provided spectrum list and write the data to a new mzML file." )
.method( "getFilename", &RcppPwiz::getFilename, "Returns the mass spec filename.")
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23 changes: 12 additions & 11 deletions vignettes/mzR.Rmd
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Expand Up @@ -13,22 +13,23 @@ bibliography: mzR.bib
vignette: >
%\VignetteEngine{knitr::rmarkdown}
%\VignetteIndexEntry{Accessin raw mass spectrometry and identification data}
%\VignetteKeywords{mzXML, mzData, netCDF, mzML, mzIdentML, mass spectrometry, proteomics, metabolomics}
%\VignetteKeywords{mzXML, netCDF, mzML, mzIdentML, mass spectrometry, proteomics, metabolomics}
%\VignetteEncoding{UTF-8}
%\VignettePackage{mzR}
---

# Introduction

The `r BiocStyle::Biocpkg("mzR")` package aims at providing a common, low-level
interface to several mass spectrometry data formats, namely `mzData`
[@Orchard2007], `mzXML` [@Pedrioli2004], `mzML` [@Martens2010] for raw
data, and `mzIdentML` [@Jones2012], somewhat similar to the
Bioconductor package affyio for affymetrix raw data. No processing is
done in `r BiocStyle::Biocpkg("mzR")`, which is left to packages such as `r
BiocStyle::Biocpkg("xcms")` [@Smith:2006, Tautenhahn:2008] or
`r BiocStyle::Biocpkg("MSnbase")` [@Gatto:2012]. These packages also provide more
convenient, high-level interfaces to raw and identification. data
The `r BiocStyle::Biocpkg("mzR")` package aims at providing a common,
low-level interface to several mass spectrometry data formats, namely,
`mzXML` [@Pedrioli2004], `mzML` [@Martens2010] for raw data, and
`mzIdentML` [@Jones2012], somewhat similar to the Bioconductor package
affyio for affymetrix raw data. No processing is done in `r
BiocStyle::Biocpkg("mzR")`, which is left to packages such as `r
BiocStyle::Biocpkg("xcms")` [@Smith:2006, Tautenhahn:2008] or `r
BiocStyle::Biocpkg("MSnbase")` [@Gatto:2012]. These packages also
provide more convenient, high-level interfaces to raw and
identification. data

Most importantly, access to the data should be fast and memory
efficient. This is made possible by allowing on-disk random file
Expand Down Expand Up @@ -110,7 +111,7 @@ depends on the MS software which converted the data.

# Example

## `mzXML`/`mzML`/`mzData` files
## `mzXML`/`mzML` files

A short example sequence to read data from a mass spectrometer.
First open the file.
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