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  "Title": "Perform the Complete Processing of a Set of Proton Nuclear\nMagnetic Resonance Spectra",
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  "Date": "2026-07-28",
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  "Description": "Perform the complete processing of a set of proton nuclear\nmagnetic resonance spectra from the free induction decay (raw\ndata) and based on a processing sequence (macro-command file).\nAn additional file specifies all the spectra to be considered\nby associating their sample code as well as the levels of\nexperimental factors to which they belong. More detail can be\nfound in Jacob et al. (2017) <doi:10.1007/s11306-017-1178-y>.",
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      "filename": "Rnmr1D.html",
      "title": "Rnmr1D package",
      "author": "Daniel Jacob",
      "engine": "knitr::rmarkdown",
      "headings": [
        "Preamble",
        "Features illustration of the Rnmr1D package",
        "Description",
        "Test with the extra data provided within the package",
        "Do the processing",
        "Spectra plots",
        "Stacked Plot with a perspective effect",
        "Overlaid Plot",
        "Some other plots to illustrate the possibilities",
        "Apply additional processing",
        "Get the data matrix",
        "Bucket Clustering",
        "Bucket Clustering based on a lower threshold  applied on correlations",
        "Bucket Clustering based on a hierarchical tree of the variables (buckets) generated by an Hierarchical Clustering Analysis (HCA)",
        "Clustering results",
        "Clustering Comparison resulting of the both 'hca' & 'corr' methods",
        "Criterion curves",
        "Clusters distribution",
        "PCA",
        "Plot PCA Scores",
        "Plot PCA Loadings (based on the HCA method)",
        "Plot loadings with the only merged variables for each cluster (based on their average)",
        "Low-level functionnalities",
        "References"
      ],
      "created": "2018-07-25 15:36:52",
      "modified": "2026-05-11 13:31:09",
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