proFIA

This package is deprecated. It will probably be removed from Bioconductor. Please refer to the package end-of-life guidelines for more information.

This package is for version 3.17 of Bioconductor. This package has been removed from Bioconductor. For the last stable, up-to-date release version, see proFIA.

Preprocessing of FIA-HRMS data


Bioconductor version: 3.17

Flow Injection Analysis coupled to High-Resolution Mass Spectrometry is a promising approach for high-throughput metabolomics. FIA- HRMS data, however, cannot be pre-processed with current software tools which rely on liquid chromatography separation, or handle low resolution data only. Here we present the proFIA package, which implements a new methodology to pre-process FIA-HRMS raw data (netCDF, mzData, mzXML, and mzML) including noise modelling and injection peak reconstruction, and generate the peak table. The workflow includes noise modelling, band detection and filtering then signal matching and missing value imputation. The peak table can then be exported as a .tsv file for further analysis. Visualisations to assess the quality of the data and of the signal made are easely produced.

Author: Alexis Delabriere and Etienne Thevenot.

Maintainer: Alexis Delabriere <alexis.delabriere at outlook.fr>

Citation (from within R, enter citation("proFIA")):

Installation

To install this package, start R (version "4.3") and enter:


if (!require("BiocManager", quietly = TRUE))
    install.packages("BiocManager")

BiocManager::install("proFIA")

For older versions of R, please refer to the appropriate Bioconductor release.

Documentation

Reference Manual PDF

Details

biocViews Lipidomics, MassSpectrometry, Metabolomics, PeakDetection, Preprocessing, Proteomics, Software
Version 1.26.0
In Bioconductor since BioC 3.4 (R-3.3) (7.5 years)
License CeCILL
Depends R (>= 2.5.0), xcms
Imports stats, graphics, utils, grDevices, methods, pracma, Biobase, minpack.lm, BiocParallel, missForest, ropls
System Requirements
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Suggests BiocGenerics, plasFIA, knitr
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Depends On Me plasFIA
Imports Me
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Package Archives

Follow Installation instructions to use this package in your R session.

Source Package
Windows Binary
macOS Binary (x86_64)
macOS Binary (arm64)
Source Repository git clone https://git.bioconductor.org/packages/proFIA
Source Repository (Developer Access) git clone git@git.bioconductor.org:packages/proFIA
Package Short Url https://bioconductor.org/packages/proFIA/
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Old Source Packages for BioC 3.17 Source Archive