Geoscientific Model Development
Geoscientific Model Development
GMD
Articles | Volume 9, issue 1
Articles | Volume 9, issue 1
https://doi.org/10.5194/gmd-9-41-2016
© Author(s) 2016. This work is distributed under
the Creative Commons Attribution 3.0 License.
https://doi.org/10.5194/gmd-9-41-2016
© Author(s) 2016. This work is distributed under
the Creative Commons Attribution 3.0 License.
Articles | Volume 9, issue 1
Model description paper
 | 
15 Jan 2016
Model description paper |  | 15 Jan 2016

PyXRD v0.6.7: a free and open-source program to quantify disordered phyllosilicates using multi-specimen X-ray diffraction profile fitting

M. Dumon and E. Van Ranst

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Short summary
This paper presents a FOSS model called PyXRD used to improve the quantification of complex mixed-layer phyllosilicate assemblages using X-ray diffraction. The novelty of this model is the ab initio incorporation of the multi-specimen method, making it possible to share phases and their parameters across multiple specimens. We present results from a comparison of PyXRD with Sybilla v2.2.2 and a number of theoretical experiments illustrating the use of the multi-specimen set-up.
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