{
  "title": "SPEN-DOSY · reproducción externa GNAT/SCORE",
  "caption": "Reproducción externa exploratoria de datos abiertos con rutinas GNAT/SCORE originales y parámetros batch explícitos. El mapa ppm–D muestra dos componentes especificados como trazas discretas, sin anchura física ni identidad asignada. Prime ofrece actualmente la biblioteca de SPEN, no esta reconstrucción como motor nativo.",
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    "solvent": "<D2O>",
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  "prime_native_reconstruction": false,
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    "spatial_positions": 290
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    "components_specified_not_selected": true,
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    "diffusion_smoothing": false,
    "gaussian_broadening": false,
    "line_thickness": "Display glyph only, no physical diffusion width",
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    "originals_unchanged": true,
    "original_routines_unchanged": true,
    "no_gui_automation": true,
    "independent_exponential_decays_reproduced": true,
    "full_prediction_reproduced": true,
    "signed_residual_reproduced": true
  },
  "notice_exact": "External exploratory replay using original GNAT routines and explicit batch selections. Not a Prime-native SPEN reconstruction or a reproduction of all published processing choices. The two-component model is specified from the deposited mixture. Unconstrained SCORE spectra; acquisition-profile division, magnitude, field calibration and spatial selection affect the result. No validated species assignment, concentration, Rh or molecular mass.",
  "references": [
    {
      "title": "Speedy Component Resolution Using Spatially Encoded Diffusion NMR Data",
      "authors": "B. Lorandel; H. Rocha; O. Cazimajou; R. Mishra; A. Bernard; P. Bowyer; M. Nilsson; J.-N. Dumez",
      "year": 2025,
      "doi": "10.1002/mrc.5488",
      "url": "https://analyticalsciencejournals.onlinelibrary.wiley.com/doi/10.1002/mrc.5488",
      "relationship": "Published SPEN/GNAT processing; online 16 October 2024; MRC 63(1), 49–61",
      "primary_source_checked_on": "2026-09-30"
    },
    {
      "title": "Data for Speedy component resolution using spatially encoded diffusion NMR data",
      "authors": "B. Lorandel et al.",
      "year": 2024,
      "doi": "10.5281/zenodo.12916108",
      "url": "https://zenodo.org/records/12916108",
      "relationship": "Source data and original GNAT code; data CC BY 4.0, respect separate code notices",
      "primary_source_checked_on": "2026-09-30"
    },
    {
      "title": "Speedy Component Resolution: An Improved Tool for Processing Diffusion-Ordered Spectroscopy Data",
      "authors": "M. Nilsson; G. A. Morris",
      "year": 2008,
      "doi": "10.1021/ac7025833",
      "url": "https://pubs.acs.org/doi/10.1021/ac7025833",
      "relationship": "Original SCORE algorithm; Anal. Chem. 80(10), 3777–3782",
      "primary_source_checked_on": "2026-09-30"
    }
  ],
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  "created_on": "2026-09-30",
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    "heatmaps_rasterized_for_web": true,
    "axes_and_text_vector_in_svg": true
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}