rampedpyrox 1.0.4

Package Information

Authors:

Jordon D. Hemingway (jordon.hemingway@erdw.ethz.ch)

Version:

1.0.4

Release:

29 May 2023

License:

GNU GPL v3 (or greater)

url:

http://github.com/FluvialSeds/rampedpyrox http://pypi.python.org/pypi/rampedpyrox

doi:

How to Cite

When analyzing data with rampedpyrox to be used in a peer-reviewed journal, please cite this package as:

• J.D. Hemingway. rampedpyrox: open-source tools for thermoanalytical data analysis, 2016-, http://pypi.python.org/pypi/rampedpyrox [online; accessed 2024-03-12]

Additionally, please cite the following peer-reviewed manuscript describing the deveopment of the package and Ramped PyrOx data treatment:

• J.D. Hemingway et al. (2017) Technical note: An inverse model to realte organic carbon reactivity to isotope composition from serial oxidation. Biogeosciences, 22, 5099-5114.

If using Ramped PyrOx data generated by the NOSAMS instrument, the following manuscript contains relevant information regarding blank carbon composition, isotope mass balance, and the magnitude of the kinetic isotope effect:

• J.D. Hemingway et al. (2017) Assessing the blank carbon contribution, isotope mass balance, and kinetic isotope fractionation of the ramped pyrolysis/oxidation instrument at NOSAMS. Radiocarbon, 59, 179-193.

Documentation

The documentation for the latest release, including detailed package references as well as a comprehensive walkthrough for analyzing Ramped PyrOx data, is available at:

http://rampedpyrox.readthedocs.io

Package features

rampedpyrox currently contains the following features relevant to non-isothermal kinetic analysis:

• Stores and plots thermogram data

• Performs first-order DAEM inverse model to estimate activation energy distributions, p(0,E)

  • Regularizes (“smoothes”) p(0,E) using Tikhonov Regularization

    • Automated or user-defined regularization value

• Calculates subset of p(0,E) contained in each RPO collection fraction

  • Automatically blank-corrects inputted isotope values using any known blank carbon composition

  • Corrects measured ¹³C/¹²C ratios for the kinetic isotope effect (KIE) during heating

• Calculates and stores model performance metrics and goodness of fit statistics

• Generates plots of thermograms, p(0,E), and E vs. isotope values for each RPO fraction

• Allows for forward-modeling of any arbitrary time-temperature history, e.g. to determine the decomposition rates and isotope fractionation during geologic organic carbon matruation