pySpectroWorks

pySpectroWorks is a Python module for loading data from SpectroWorks™. This readme file provides a brief introduction to the module and how it can be used.

Getting started

Installation:

pip install pyspectroworks

Import the module and establish a connection to SpectroWorks™ using your API key:

import pyspectroworks

api_key = "INSERT_API_KEY_HERE"
conn = pyspectroworks.connect(api_key)

Usage

Once you have a connection instance you can extract all your projects as a list:

projects = conn.get_projects()

Each element in this list is a Project object. All data about a project is found in its data attribute, however, the most useful information has its own attributes:

project = projects[0]  # get first project
print("Project name:", project.project_name)
print("Number of items:", project.num_files)
print("Created:", project.created)  # unix timestamp of when this project was created
print("Last modified:", project.modified)  # unix timestamp of when this project was last modified

Each project can include several items. These are your experiments and can be extracted with the get_items method:

items = project.get_items() # get all items in project

Like projects, items include a multitude of different data which can be accessed by the item's data attribute. The box code and cuvette number can be found in the box_code and cuvette_idx attributes. Calculated results are available in the items results attribute.

item = items[0] # get first item
ri = item.results['refractive_index']['value'] # get the refractive index
# print cuvette and refractive index
print(f'Cuvette: {item.box_code: >6}{item.cuvette_idx:0>2}, Refractive Index: {ri: >8}')

To extract the spectral data use the get_spectrum method of the item.
The available spectrum types are:

• reference_B (B side reference spectrum)
• sample_A (A side sample spectrum)
• sample_B (B side sample spectrum)
• sample_D (D side sample spectrum)

spectrum = item.get_spectrum('sample_B')

The spectrum is a list consisting of pairs of wavelengths and attenuance values.

Example script

An example script can be found in api_test.py

Aplications

• Analysis of water quality - pySpectroWorks can be used to extract spectral data from water samples, which can be used to identify pollutants and contaminants.

• Analysis of beverages - pySpectroWorks can be used to analyze the spectral data of beverages such as wine, beer, and juice, which can provide information on their chemical composition and quality.

• Analysis of oils and fats - pySpectroWorks can be used to analyze the spectral data of liquid oils and fats, which can provide information on their composition and purity.

• Analysis of biological fluids - pySpectroWorks can be used to extract spectral data from biological fluids such as blood, urine, and saliva, which can provide information on disease diagnosis and treatment.