# Optical Spectroscopy JSON-LD

#### Leean Jo, Erika I. Barcelos, Laura S. Bruckman, Roger H. French

#### 2023-08-09

## Optical Spectroscopy JSON-LD Description

This json-ld template is used to store metadata information commonly used to describe optical spectroscopy measurements including FTIR, UV-vis, Raman, Fluorescence and Optical emission spectroscopies.

It includes some key meta information about the experimental setup, equipment and sample information, such as material type, wavelength,intensity, analysis method concentration etc.The results and calibration data is also included in some spectroscopic techniques - Inductively Coupled Plasma Optical Emission. A more detailed structure is shown below, each branch represents a type of spectroscopy and the data and metadata associated to it.

## Creating JSON-LD for Optical Spectroscopy in R

    library(FAIRmaterials)

    # An example data frame for Optical Spectroscopy
    # FTIR spectroscopy example from PMMA samples

    FTIR_example <- data.frame(
      'wavelength' = c('649.57', '2650.5'),
      'spc' = c('0.019966', '0.00315458'),
      'SampleMaterial' = c('UVT', 'FF1'),
      'SamplePhase' = c('solid', 'solid'),
      'sampleID' = c('sa17435', 'sa17559')
    )

    # This will generate JSON-LD file for the example data
    output <- fairify_data(FTIR_example, domain = 'OpticalSpectroscopy', saveLocal = TRUE)

## Creating JSON-LD for Optical Spectroscopy in Python

    from fairmaterials.fairify_data import *
    import pandas as pd

    # An example data frame for Optical Spectroscopy
    # FTIR spectroscopy example from PMMA samples
    FTIR_example = pd.DataFrame({
      'wavelength': ['649.57', '2650.5'],
      'spc': ['0.019966', '0.00315458'],
      'SampleMaterial': ['UVT', 'FF1'],
      'SamplePhase': ['solid', 'solid'],
      'sampleID': ['sa17435', 'sa17559']
    })

    # This will generate JSON-LD file for the example data
    output <- fairify_data(FTIR_example, domain = 'OpticalSpectroscopy')

## Optical Spectroscopy schema diagram

Optical Spectroscopy schema diagram

## Acknowledgment