carbspec 0.0.3

Tools for calculating pH and Alkalinity from spectrophotometric data.

carbspec : pH and Alkalinity Determination by Spectral Fitting

Submitted Manuscript

High-Precision characterisation of indicator dyes by Spectral Fitting: Application to Swawater pH and Alkalinity measurements. Branson, O. & Ellwood, M. L&O Methods

Electronic supplements are available in the SI Folder.

Installation

pip install carbspec

Example Usage

from carbspec.io import load_spectrum  # for reading files
from carbspec import spectro  # for doing the work

spec = load_spectrum('./SI/data/pH/CRM1_DICKSON_D10_CRM_100211_03_12_2019.dat')  # this data file is in the 'SI' folder of the reposiitory.
# NB Yo don't have to use 'load_spectrum' - the following function just requires two arrays containing wavelength and absorption.

spectro.pH_from_spectrum(s['wavelength'], s['Abs'])

> 3.570124144350996+/-0.006193756635537494

Further examples of pH and TA calculation on batches of files may be found in the Figures Supplement to the manusript.