erah (Q28557)

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Automated Spectral Deconvolution, Alignment, and Metabolite Identification in GC/MS-Based Untargeted Metabolomics
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    erah
    Automated Spectral Deconvolution, Alignment, and Metabolite Identification in GC/MS-Based Untargeted Metabolomics

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      1.1.2
      11 May 2021
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      1.0.0
      15 April 2016
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      1.0.1
      22 April 2016
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      1.0.2
      2 September 2016
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      1.0.3
      14 October 2016
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      1.0.4
      18 October 2016
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      1.0.5
      14 January 2017
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      1.1.0
      11 July 2018
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      1.1.1
      6 July 2020
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      2.0.0
      2 December 2023
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      2.0.1
      20 December 2023
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      20 December 2023
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      Automated compound deconvolution, alignment across samples, and identification of metabolites by spectral library matching in Gas Chromatography - Mass spectrometry (GC-MS) untargeted metabolomics. Outputs a table with compound names, matching scores and the integrated area of the compound for each sample. Package implementation is described in Domingo-Almenara et al. (2016) <doi:10.1021/acs.analchem.6b02927>.
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