.. rampedpyrox documentation master file, created by sphinx-quickstart on Mon Aug 22 18:31:16 2016. You can adapt this file completely to your liking, but it should at least contain the root `toctree` directive. Welcome to the RampedPyrox documentation ======================================== ``rampedpyrox`` is a Python package for analyzing experimental kinetic data and accompanying chemical/isotope compositional information. ``rampedpyrox`` is especially suited for comparing kinetic and isotope results from ramped-temperature instruments such as Ramped PyrOx, RockEval, pyrolysis gc (pyGC), thermogravimitry (TGA), etc. This package converts measured time-series data into rate/activation energy distributions using a selection of reactive continuum models, including the Distributed Activation Energy Model (DAEM) for non-isothermal data. Additionally, this package calculates the range of rate/activation energy values associated with each isotope "fraction" and performs necessary isotope corrections (blank, mass balance, kinetic fractionation). 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: |doi| Bug Reports ----------- This software is still in active deveopment. Please report any bugs directly to me. 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 |date|] 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. 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 :sup:`13`\ C/:sup:`12`\ C 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 Future Additions ~~~~~~~~~~~~~~~~ Future versions of ``rampedpyrox`` will aim to include: * Better support for isothermal experimental conditions * Non-first-order kinetic models License ------- This product is licensed under the GNU GPL license, version 3 or greater. Table of contents ================= .. toctree:: :maxdepth: 2 walkthrough package_reference Indices and tables ================== * :ref:`genindex` * :ref:`search` .. * :ref:`modindex` .. |date| date:: .. |doi| image:: https://zenodo.org/badge/66090463.svg