NIST Ingestion Format (RTT-Aligned)

This document defines the minimal structure required to ingest NIST vibrational frequency data into the Resonance Atlas.

1. Expected Input Format#

NIST IR/Raman datasets typically provide:

• molecule name
• vibrational mode
• wavenumber (cm⁻¹)
• intensity
• symmetry label

We convert wavenumber → frequency (Hz):

frequency_hz = wavenumber_cm * c * 100

Where c = 2.99792458e10 cm/s.

2. Minimal JSON Structure (Post-Conversion)#

Each harvested entry should be normalized to:

{
  "substrate": "molecular vibration",
  "frequency_range_hz": "4e13–1e14",
  "source": "NIST",
  "notes": "optional"
}

The harvester will add:

• phase
• symbol
• glyph
• drift notes

3. Ingestion Pipeline#

1. Load NIST dataset
   CSV, JSON, or scraped table.

2. Extract wavenumbers
   Convert to Hz.

3. Group into frequency ranges
   (min–max per molecule or per mode)

4. Normalize substrate
   Always "molecular vibration" for Phase I.

5. Emit raw entries
   For assemble_entry() to process.

4. Example Raw Output#

[
  {
    "substrate": "molecular vibration",
    "frequency_range_hz": "5.2e13–8.1e13",
    "source": "NIST"
  }
]

5. Validation#

The harvester will:

• map phase (should be Phase I)
• assign glyph (Blue Atom)
• detect drift (rare for NIST)
• append to atlas.json