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.
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)
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.
An example script can be found in api_test.py
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Analysis of water quality - pySpectroWorks can be used to extract spectral data from water samples, which can be used to identify pollutants and contaminants.
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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.
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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.
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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.