xpectra

Guide

  • Installation
    • Requirements
    • From PyPI
    • Optional extras
    • From source (editable)
    • Verify the install
  • Quickstart
    • 1. Build the processed data
    • 2. Load labeled and unlabeled spectra
    • 3. Calibrate a classifier (leakage-safe)
    • 4. Measure the generalization gap (LOSO)
    • 5. Detect out-of-distribution spectra and abstain
    • 6. Weathering indicator
  • Preprocessing routes & the route-prefix convention
    • The three routes
    • Selecting a route
    • The route-prefix convention

Reference

  • Command-line interface
    • xpectra-process-raw
    • xpectra-train
    • xpectra-predict
    • xpectra-study
  • Study reproduction workflows
    • Workflow catalog
    • Route selection
    • Dependencies between workflows
    • Reference datasets
  • API reference
    • Configuration & data
      • xpectra.TrustConfig
      • xpectra.load_labeled
      • xpectra.load_unknown
      • xpectra.load_external
      • xpectra.loso_splits
      • xpectra.leave_one_class_out
    • Metrics
      • xpectra.expected_calibration_error
      • xpectra.multiclass_brier
      • xpectra.risk_coverage
      • xpectra.aurc
      • xpectra.selective_metrics_at_coverage
    • Calibration
      • xpectra.CalibratedModel
      • xpectra.TemperatureScaler
      • xpectra.reliability_curve
    • Out-of-distribution detection & abstention
      • xpectra.AbstainingClassifier
      • xpectra.MaxSoftmax
      • xpectra.Entropy
      • xpectra.Energy
      • xpectra.Mahalanobis
      • xpectra.KNNDistance
      • xpectra.SpectralAngleScorer
    • Semi-supervised learning
      • xpectra.self_train
      • xpectra.label_spread
      • xpectra.ssl_loso_experiment
    • Weathering analysis
      • xpectra.band_area
      • xpectra.carbonyl_index
      • xpectra.weathering_report
      • xpectra.unknown_composition
    • Module index
      • xpectra.config
      • xpectra.data
      • xpectra.metrics
      • xpectra.calibration
      • xpectra.ood
      • xpectra.ssl
      • xpectra.weathering
      • xpectra.protocols
      • xpectra.plotting
      • xpectra.pipeline

Project

  • Changelog
    • 0.1.1
    • 0.1.0
xpectra
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© Copyright 2026, Data Analysis Team at KaziLab.se (email: xpectra@kazilab.se). Last updated on 2026-07-19.

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