Metadata-Version: 1.1
Name: rampedpyrox
Version: 1.0.3
Summary: Ramped PyrOx kinetic and isotope analysis
Home-page: https://github.com/FluvialSeds/rampedpyrox
Author: Jordon D. Hemingway
Author-email: jhemingway@whoi.edu
License: GNU GPL Version 3
Download-URL: https://github.com/FluvialSeds/rampedpyrox/archive/1.0.3.tar.gz
Description: About rampedpyrox
        =================
        ``rampedpyrox`` is a Python package for analyzing experimental kinetic data and accompanying chemical/isotope compositional information. ``rampedpyrox`` is especially suited for analyzing results from ramped-temperature instruments such as Ramped PyrOx, RockEval, pyrolysis gc (pyGC), thermogravimitry (TGA), etc. This package converts time-series mass observations into rate/activation energy (E) distributions using a selection of reactive continuum models, including the Distributed Activation Energy Model (DAEM) for non-isothermal data. Additionally, this package correlates modelled rate/E data with measured isotope compositional data and corrects isotopes for kinetic fractionation, if appropriate.
        
        This package was created as a supplement to J.D. Hemingway's PhD thesis awarded by the MIT/WHOI Joint Program in Oceanography (February 2017), `which can be found here <https://github.com/FluvialSeds/thesis_master>`_.
        
        Package Information
        -------------------
        :Authors:
          Jordon D. Hemingway (jordon_hemingway@harvard.edu)
        
        :Version:
          1.0.3
        
        :Release:
          25 July 2020
        
        :License:
          GNU GPL v3 (or greater)
        
        :url:
          http://github.com/FluvialSeds/rampedpyrox
          http://pypi.python.org/pypi/rampedpyrox
        
        :doi:
          |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 |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) An inverse model to realte organic carbon reactivity to isotope composition from serial oxidation. *Biogeosciences Discussions*, **in review**.
        
        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 :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
        
        
        How to Obtain
        =============
        
        Source code can be directly downloaded from GitHub:
        
        	http://github.com/FluvialSeds/rampedpyrox
        
        Binaries can be installed through the Python package index::
        
        	$ pip install rampedpyrox
        
        License
        =======
        This product is licensed under the GNU GPL license, version 3 or greater.
        
        Bug Reports
        ===========
        This software is still in active deveopment. Please report any bugs directly to me at:
        
        	jordon_hemingway@harvard.edu
        
        
        .. |date| date::
        .. |doi| image:: https://zenodo.org/badge/66090463.svg
Keywords: geochemistry,isotopes,kinetics,inverse modeling,carbon cycle
Platform: UNKNOWN
Classifier: Development Status :: 3 - Alpha
Classifier: Intended Audience :: Science/Research
Classifier: License :: Free for non-commercial use
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 2
Classifier: Programming Language :: Python :: 3.5
Classifier: Programming Language :: Python :: 2.7
Classifier: Topic :: Scientific/Engineering
