Ultraviolet–visible (UV-vis) dataset

The following UV-vis dataset was obtained as a JCAMP-DX file, and subsequently converted to the CSD model file-format. The data structure of the UV-vis dataset follows,

import matplotlib.pyplot as plt

import csdmpy as cp

domain = "https://www.ssnmr.org/sites/default/files/CSDM"
filename = f"{domain}/UV-vis/benzeneVapour_base64.csdf"
UV_data = cp.load(filename)
print(UV_data.data_structure)

{
  "csdm": {
    "version": "1.0",
    "read_only": true,
    "timestamp": "2014-09-30T11:16:33Z",
    "description": "A UV-vis spectra of benzene vapours.",
    "dimensions": [
      {
        "type": "linear",
        "count": 4001,
        "increment": "0.01 nm",
        "coordinates_offset": "230.0 nm",
        "quantity_name": "length",
        "label": "wavelength",
        "reciprocal": {
          "quantity_name": "wavenumber"
        }
      }
    ],
    "dependent_variables": [
      {
        "type": "internal",
        "name": "Vapour of Benzene",
        "numeric_type": "float32",
        "quantity_type": "scalar",
        "component_labels": [
          "Absorbance"
        ],
        "components": [
          [
            "0.25890622, 0.25923702, ..., 0.16814752, 0.16786034"
          ]
        ]
      }
    ]
  }
}

and the corresponding plot

plt.figure(figsize=(5, 3.5))
ax = plt.subplot(projection="csdm")
ax.plot(UV_data)
plt.tight_layout()
plt.show()