{
  "title": "Ultrafast D–T₂ · experimento 1502",
  "caption": "Reconstrucción exploratoria real calculada en C# con TRAIn2D. La dimensión CPMG es tiempo de eco, no ppm; D depende de b aproximado y perfil uniforme supuesto.",
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  "source_type": "Local user-provided acquisition 1502; no public raw-data licence inferred",
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    "pulseProgram": "2D_DOSY_CPMG.om",
    "solvent": "D2O",
    "nucleus": "1H",
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  "recipe": {
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    "removeDigitalFilter": true,
    "legacyEndpoints": true,
    "discardFirstEchoes": 1,
    "cropEachEdge": 6,
    "reverseEncoding": false,
    "spatialCenterHz": 0,
    "exploratoryAssumptionsAccepted": true
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  "solver_settings": {
    "minimumD": 1e-11,
    "maximumD": 3e-09,
    "dBins": 32,
    "minimumT2": 0.04,
    "maximumT2": 3,
    "t2Bins": 24,
    "lambda": 0,
    "maximumIterations": 5000,
    "kktTolerance": 1e-05
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  "train_settings": {
    "maximumIterations": 5000,
    "termFac": 1.02,
    "historicalPruning": false,
    "nnlsMaximumIterations": 0
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  "method": "TRAIn2D · C# · adaptación del código aportado",
  "prime_native_reconstruction": true,
  "metrics": {
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    "iterations": 140,
    "residual_to_nnls": 1.0190749643491117,
    "boundary_amplitude_fraction": 0.0023859020297569053,
    "converged": true,
    "stop_reason": "residualTarget"
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    "preprocessingExactlyReproduced": true,
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    "privateOriginalsNotRedistributed": true
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  "notice_exact": "TRAIn2D · adaptación C# de train2d.py del usuario, con correcciones propias documentadas. η² no negativa, región de confianza, subproblema Steihaug (100 pasos), term_fac × residuo NNLS. NNLS usa columnas activas del Kronecker implícito, tolerancia de precisión finita y certificado KKT; no es FISTA ni un sustituto automático. Objetivo de residuo TRAIn alcanzado; NO validación física. Sin recorte final: se conserva toda la amplitud. El residuo NNLS incluye posible error del modelo y no es ruido instrumental medido independientemente. La parada por discrepancia no requiere KKT nulo en la distribución TRAIn. UF: b aproximado, magnitud y perfil uniforme supuesto; D exploratoria y T₂ efectivo, no concentración ni Mw validada.",
  "preprocessing_notice_exact": "EXPLORATORIO · magnitud, perfil de bobina supuesto uniforme, sin referencia interna ni normalización térmica. b=(γ G δef)² Δ es la aproximación del cuaderno, no un kernel validado de esta secuencia. Gmax/sweep/orientación requieren comprobación. Ejes y recortes compatibles con el cuaderno: linspace inclusivo y δef reasignado tras seleccionar ventana. Filtro nmrglue compatible, GRPDLY entero; 128→59 complejos; 16 posiciones × 31 ecos. Los índices excluidos quedan trazados. La magnitud tiene suelo de ruido: no tratar las áreas como concentración ni T₂ como intrínseco.",
  "references": [
    {
      "title": "Ultrafast multidimensional Laplace NMR for a rapid and sensitive chemical analysis",
      "authors": "S. Ahola et al.",
      "year": 2015,
      "doi": "10.1038/ncomms9363",
      "url": "https://www.nature.com/articles/ncomms9363",
      "relationship": "Published UF D–T2 foundation; not a DOI for the local 1502 acquisition",
      "primary_source_checked_on": "2026-09-30"
    },
    {
      "title": "Trust-region algorithm for the inversion of molecular diffusion NMR data",
      "authors": "K. Xu; S. Zhang",
      "year": 2014,
      "doi": "10.1021/ac402698h",
      "url": "https://pubmed.ncbi.nlm.nih.gov/24313860/",
      "relationship": "Original TRAIn; local C# 2D adaptation is explicitly distinct",
      "primary_source_checked_on": "2026-09-30"
    }
  ],
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  "created_on": "2026-09-30",
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}