Data sections

Each FTIR observation record stores one spectral scan — a 2383-element reflectance array covering 2501–16686 nm — linked to a sample and an observation log. The spectral array is stored in ascending wavelength order.

Prerequisites

Notebook cell

In load_ai4sh_spectral_data.ipynb, the Manage FTIR observation cell runs:

job_file = 'import_data/FTIR_spectra/job_ftir_observation.json'

structured_process_D, scheme_params_D = Initiate_process(notebook_path, scheme_file, job_file)

if structured_process_D is not None:
    Run_process(structured_process_D, scheme_params_D)

Job file

Path: ./ai4sh/import_data/FTIR_spectra/job_ftir_observation.json

{
  "process": {
    "job_folder": "import_data/FTIR_spectra/observation",
    "process_sub_folder": "process",
    "pilot_file": "xspatula_add_observation_pilot.txt"
  }
}

Process file example

Path: ./ai4sh/import_data/FTIR_spectra/observation/process/ai4sh_ch_lens_2026@ftir_ds2m_lens@0-5_a_1_none_20260513_observation.json

{
  "process": [
    {
      "process": "manage_observation",
      "parameters": {
        "observation_log_id__observation_log_name": "ai4sh_ch_lens_2026@ftir_ds2m",
        "sample_id__sample_name": "lens@0-5",
        "provision_id__provision_name": "bruker invenio s ftir",
        "subsample": "a",
        "replicate": 1,
        "observation_date": 20260513,
        "provision_serial_nr_id__provision_serial_nr_name": "au",
        "@spectra_array": [0.6864, 0.6864, 0.6863, 0.6863]
      }
    }
  ]
}

1419 process files — one per individual scan. The @spectra_array contains 2383 reflectance values; the example shows the first 4 (at ~2501 nm).

Parameters

Parameter Description
observation_log_id__observation_log_name FK lookup: parent observation log
sample_id__sample_name FK lookup: sample record
provision_id__provision_name FK lookup: bruker invenio s ftir
subsample Sub-sample identifier (e.g. a)
replicate Scan replicate number (integer)
observation_date Date of scanning as integer (YYYYMMDD)
provision_serial_nr_id__provision_serial_nr_name FK lookup: instrument serial number
@spectra_array Reflectance array — 2383 values, 2501–16686 nm, ascending wavelength

Next step

Proceed to Manage LIBS spectrometer to continue with the final instrument.

Updated: