Metadata-Version: 1.1
Name: rampedpyrox
Version: 0.1.2
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/tarball/0.1.2
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 (December 2016), `which can be found here <https://github.com/FluvialSeds/thesis_master>`_.
        
        Package Information
        -------------------
        :Authors:
          Jordon D. Hemingway (jordon_hemingway@harvard.edu)
        
        :Version:
          0.1.2
        
        :Release:
          26 January 2017
        
        :License:
          GNU GPL v3 (or greater)
        
        :url:
          http://github.com/FluvialSeds/rampedpyrox
        
        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://github.com/FluvialSeds/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. **(in prep)** An inverse model for relating organic carbon thermal reactivity and isotope composition using Ramped PyrOx.
        
        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*, **in press**.
        
        
        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\ :sub:`0`\ (E)
        
          * Regularizes ("smoothes") p\ :sub:`0`\ (E) using Tikhonov Regularization
        
            * Automated or user-defined regularization value
        
        * Calculates subset of p\ :sub:`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\ :sub:`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::
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
