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Geoscientific Model Development An interactive open-access journal of the European Geosciences Union
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Volume 9, issue 1
Geosci. Model Dev., 9, 41-57, 2016
https://doi.org/10.5194/gmd-9-41-2016
© Author(s) 2016. This work is distributed under
the Creative Commons Attribution 3.0 License.
Geosci. Model Dev., 9, 41-57, 2016
https://doi.org/10.5194/gmd-9-41-2016
© Author(s) 2016. This work is distributed under
the Creative Commons Attribution 3.0 License.

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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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.
This paper presents a FOSS model called PyXRD used to improve the quantification of complex...
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