# This file created by conda-build 3.19.2
# meta.yaml template originally from:
# /Users/runner/work/bioconda-recipes/bioconda-recipes/recipes/bioconductor-mspurity, last modified Fri Oct 30 07:16:30 2020
# ------------------------------------------------

package:
    name: bioconductor-mspurity
    version: 1.16.0
source:
    md5: 45bc8aaab65adb9a76f0deafae99efac
    url:
        - https://bioarchive.galaxyproject.org/msPurity_1.16.0.tar.gz
        - https://bioconductor.org/packages/3.12/bioc/src/contrib/msPurity_1.16.0.tar.gz
        - https://depot.galaxyproject.org/software/bioconductor-mspurity/bioconductor-mspurity_1.16.0_src_all.tar.gz
build:
    number: '0'
    rpaths:
        - lib/
        - lib/R/lib/
    string: r40h64ad5ed_0
requirements:
    build:
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        - r-plyr 1.8.6 r40hc5da6b9_1
        - r-praise 1.0.0 r40h6115d3f_1004
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        - zstd 1.4.5 h289c70a_2
    run:
        - bioconductor-mzr >=2.24.0,<2.25.0
        - libblas >=3.8.0,<4.0a0
        - libcxx >=9.0.1
        - liblapack >=3.8.0,<4.0a0
        - r-base >=4.0,<4.1.0a0
        - r-dbi
        - r-dbplyr
        - r-dosnow
        - r-dplyr
        - r-fastcluster
        - r-foreach
        - r-ggplot2
        - r-jsonlite
        - r-magrittr
        - r-plyr
        - r-rcpp
        - r-reshape2
        - r-rsqlite
        - r-stringr
        - r-uuid
test:
    commands:
        - $R -e "library('msPurity')"
about:
    description: 'msPurity R package was developed to: 1) Assess the spectral quality
        of fragmentation spectra by evaluating the "precursor ion purity". 2) Process
        fragmentation spectra. 3) Perform spectral matching. What is precursor ion
        purity? -What we call "Precursor ion purity" is a measure of the contribution
        of a selected precursor peak in an isolation window used for fragmentation.
        The simple calculation involves dividing the intensity of the selected precursor
        peak by the total intensity of the isolation window. When assessing MS/MS
        spectra this calculation is done before and after the MS/MS scan of interest
        and the purity is interpolated at the recorded time of the MS/MS acquisition.
        Additionally, isotopic peaks can be removed, low abundance peaks are removed
        that are thought to have limited contribution to the resulting MS/MS spectra
        and the isolation efficiency of the mass spectrometer can be used to normalise
        the intensities used for the calculation.'
    home: https://bioconductor.org/packages/3.12/bioc/html/msPurity.html
    license: GPL (>= 2)
    license_file: /Users/runner/bioconda/conda-bld/bioconductor-mspurity_1604048759714/_h_env_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold/lib/R/share/licenses/GPL-3
    summary: Automated Evaluation of Precursor Ion Purity for Mass Spectrometry Based
        Fragmentation in Metabolomics
extra:
    copy_test_source_files: true
    final: true
    identifiers:
        - biotools:mspurity
        - doi:10.1021/acs.analchem.6b04358
